3-(3-methylphenyl)-1-[2-(3-naphthalen-2-yl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8-yl)ethyl]-1-(oxolan-2-ylmethyl)urea
Molecular Formula:
C30H30N4O2S
InChI: InChI=1/C30H30N4O2S/c1-21-6-4-9-25(16-21)31-29(35)33(18-27-10-5-15-36-27)14-13-26-20-37-30-32-28(19-34(26)30)24-12-11-22-7-2-3-8-23(22)17-24/h2-4,6-9,11-12,16-17,19-20,27H,5,10,13-15,18H2,1H3,(H,31,35)/f/h31H
InChIKey: InChIKey=XGPYIPFVOPOVFF-VJSLDGLSCF
SMILES: CC1=CC(=CC=C1)NC(=O)N(CCC2=CSC3=NC(=CN23)C4=CC5=CC=CC=C5C=C4)CC6CCCO6 Names:
3-(3-methylphenyl)-1-[2-(3-naphthalen-2-yl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8-yl)ethyl]-1-(oxolan-2-ylmethyl)urea Registries:
ChemSpider: InChIKey=XGPYIPFVOPOVFF-VJSLDGLSCF
PubChem CID 4113780
PubChem ID 6040532
InChI: InChI=1/C30H30N4O2S/c1-21-6-4-9-25(16-21)31-29(35)33(18-27-10-5-15-36-27)14-13-26-20-37-30-32-28(19-34(26)30)24-12-11-22-7-2-3-8-23(22)17-24/h2-4,6-9,11-12,16-17,19-20,27H,5,10,13-15,18H2,1H3,(H,31,35)/f/h31H
InChIKey: InChIKey=XGPYIPFVOPOVFF-VJSLDGLSCF
SMILES: CC1=CC(=CC=C1)NC(=O)N(CCC2=CSC3=NC(=CN23)C4=CC5=CC=CC=C5C=C4)CC6CCCO6 Names:
3-(3-methylphenyl)-1-[2-(3-naphthalen-2-yl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8-yl)ethyl]-1-(oxolan-2-ylmethyl)urea Registries:
ChemSpider: InChIKey=XGPYIPFVOPOVFF-VJSLDGLSCF
PubChem CID 4113780
PubChem ID 6040532
