2-[[9-(2-ethoxyphenyl)-4-(4-fluorophenyl)-5-oxo-8-sulfanylidene-7-thia-2,4,9-triazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-phenethyl-acetamide
Molecular Formula:
C29H25FN4O3S3
InChI: InChI=1/C29H25FN4O3S3/c1-2-37-23-11-7-6-10-22(23)34-26-25(40-29(34)38)27(36)33(21-14-12-20(30)13-15-21)28(32-26)39-18-24(35)31-17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,31,35)/f/h31H
InChIKey: InChIKey=CEUKRQGXDFLDJO-VJSLDGLSCX
SMILES: CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NCCC4=CC=CC=C4)C5=CC=C(C=C5)F)SC2=S Names:
2-[[9-(2-ethoxyphenyl)-4-(4-fluorophenyl)-5-oxo-8-sulfanylidene-7-thia-2,4,9-triazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-phenethyl-acetamide Registries:
ChemSpider: InChIKey=CEUKRQGXDFLDJO-VJSLDGLSCX
PubChem CID 3552854
PubChem ID 4804163
InChI: InChI=1/C29H25FN4O3S3/c1-2-37-23-11-7-6-10-22(23)34-26-25(40-29(34)38)27(36)33(21-14-12-20(30)13-15-21)28(32-26)39-18-24(35)31-17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,31,35)/f/h31H
InChIKey: InChIKey=CEUKRQGXDFLDJO-VJSLDGLSCX
SMILES: CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NCCC4=CC=CC=C4)C5=CC=C(C=C5)F)SC2=S Names:
2-[[9-(2-ethoxyphenyl)-4-(4-fluorophenyl)-5-oxo-8-sulfanylidene-7-thia-2,4,9-triazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-phenethyl-acetamide Registries:
ChemSpider: InChIKey=CEUKRQGXDFLDJO-VJSLDGLSCX
PubChem CID 3552854
PubChem ID 4804163
