1-(3-methylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[2-oxo-1-[2-oxo-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[2-oxo-1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[2-oxo-1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-keto-1-[2-keto-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H24N4O3S MolecularWeight: 508.59086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CS5

InChI

InChI=1S/C29H24N4O3S/c1-19-9-7-12-21(17-19)30-29(36)32-27-28(35)33(18-24(34)25-15-8-16-37-25)23-14-6-5-13-22(23)26(31-27)20-10-3-2-4-11-20/h2-17,27H,18H2,1H3,(H2,30,32,36)