3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C32H28N4O6S MolecularWeight: 596.65292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H28N4O6S/c1-19-12-13-25-26(15-19)36(18-27(37)23-10-4-3-7-20(23)2)29(38)24(17-35(25)30(39)28-11-6-14-43-28)34-32(42)33-22-9-5-8-21(16-22)31(40)41/h3-16,24H,17-18H2,1-2H3,(H,40,41)(H2,33,34,42)