9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(4-fluorophenyl)-5-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C36H31FN4O4S MolecularWeight: 634.719143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3C(C4=C(CC(CC4=O)C5=CC=C(C=C5)F)NC6=CC=CC=C63)C7=CC(=CC=C7)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3C(C4=C(CC(CC4=O)C5=CC=C(C=C5)F)NC6=CC=CC=C63)C7=CC(=CC=C7)OC

InChI

InChI=1S/C36H31FN4O4S/c1-44-25-7-5-6-22(16-25)35-34-30(17-23(18-32(34)42)21-10-12-24(37)13-11-21)38-28-8-3-4-9-31(28)41(35)33(43)20-46-36-39-27-15-14-26(45-2)19-29(27)40-36/h3-16,19,23,35,38H,17-18,20H2,1-2H3,(H,39,40)