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

Systemtic Name: 1-[1-[(2-ethanoylthiophen-3-yl)methyl]-5-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[(2-acetyl-3-thiophenyl)methyl]-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[(2-acetylthiophen-3-yl)methyl]-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-2-keto-5-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C)CC4=C(SC=C4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C)CC4=C(SC=C4)C(=O)C

InChI

InChI=1S/C25H24N4O3S/c1-15-7-6-8-19(13-15)27-25(32)28-23-24(31)29(14-18-11-12-33-22(18)17(3)30)21-10-5-4-9-20(21)16(2)26-23/h4-13,23H,14H2,1-3H3,(H2,27,28,32)