1-(1-benzothiophen-2-ylcarbonyl)-7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-(1-benzothiophen-2-ylcarbonyl)-7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(benzothiophene-2-carbonyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[1-benzothiophen-2-yl(oxo)methyl]-7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(1-benzothiophene-2-carbonyl)-7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(benzothiophene-2-carbonyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)N6CCCNCC6

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)N6CCCNCC6

InChI

InChI=1S/C31H30N4O3S/c1-20-7-9-21(10-8-20)26-19-29(36)33-24-17-23(30(37)34-15-4-13-32-14-16-34)11-12-25(24)35(26)31(38)28-18-22-5-2-3-6-27(22)39-28/h2-3,5-12,17-18,26,32H,4,13-16,19H2,1H3,(H,33,36)