1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-imidazol-2-ylidene-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-imidazol-2-ylidene-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3,3-dimethyl-2-oxo-butyl)-5-imidazol-2-ylidene-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-5-(2-imidazolylidene)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-5-imidazol-2-ylidene-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-imidazol-2-ylidene-2-keto-1-(2-keto-3,3-dimethyl-butyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=C4N=CC=N4)N2)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=C4N=CC=N4)N2)CC(=O)C(C)(C)C

InChI

InChI=1S/C26H28N6O3/c1-16-8-7-9-17(14-16)29-25(35)31-23-24(34)32(15-20(33)26(2,3)4)19-11-6-5-10-18(19)21(30-23)22-27-12-13-28-22/h5-14,23,30H,15H2,1-4H3,(H2,29,31,35)