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

Systemtic Name: 1-[1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-5-isopropyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[(2-acetyl-3-thiophenyl)methyl]-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[(2-acetylthiophen-3-yl)methyl]-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[(2-acetyl-3-thienyl)methyl]-5-isopropyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N4O3S/c1-16(2)23-21-10-5-6-11-22(21)31(15-19-12-13-35-24(19)18(4)32)26(33)25(29-23)30-27(34)28-20-9-7-8-17(3)14-20/h5-14,16,25H,15H2,1-4H3,(H2,28,30,34)