1-[5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[(2-acetyl-3-thiophenyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[(2-acetylthiophen-3-yl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC5=C(SC=C5)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC5=C(SC=C5)C(=O)C

InChI

InChI=1S/C30H32N4O3S/c1-19-9-8-12-23(17-19)31-30(37)33-28-29(36)34(18-22-15-16-38-27(22)20(2)35)25-14-7-6-13-24(25)26(32-28)21-10-4-3-5-11-21/h6-9,12-17,21,28H,3-5,10-11,18H2,1-2H3,(H2,31,33,37)