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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=N[C@H](C2=O)NC(=O)NC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O3S/c1-19-10-5-6-13-21(19)24(34)18-33-23-15-8-7-14-22(23)26(20-11-3-2-4-12-20)31-27(28(33)35)32-29(36)30-25-16-9-17-37-25/h2-17,27H,18H2,1H3,(H2,30,32,36)/t27-/m0/s1