3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide Openeye Name: 3-[[1-benzoyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide CAS Name: 3-[[[[1-benzoyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-N-methylsulfonylbenzamide IUPAC Name: 3-[[1-benzoyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonylbenzamide Traditional Name: 3-[[1-benzoyl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-mesyl-benzamide Formula: C34H31N5O7S MolecularWeight: 653.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)NS(=O)(=O)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)NS(=O)(=O)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H31N5O7S/c1-22-11-6-7-16-26(22)30(40)21-39-29-18-9-8-17-28(29)38(32(42)23-12-4-3-5-13-23)20-27(33(39)43)36-34(44)35-25-15-10-14-24(19-25)31(41)37-47(2,45)46/h3-19,27H,20-21H2,1-2H3,(H,37,41)(H2,35,36,44)