1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-thiazolyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C26H27N5O3S MolecularWeight: 489.58928

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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=NC=CS4)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=NC=CS4)CC(=O)C(C)(C)C

InChI

InChI=1S/C26H27N5O3S/c1-16-8-7-9-17(14-16)28-25(34)30-22-24(33)31(15-20(32)26(2,3)4)19-11-6-5-10-18(19)21(29-22)23-27-12-13-35-23/h5-14,22H,15H2,1-4H3,(H2,28,30,34)