1-[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [1-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [1-(3,3-dimethyl-1-oxobutyl)-7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [1-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [1-(3,3-dimethylbutanoyl)-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)N)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)N)C(=O)CC(C)(C)C

InChI

InChI=1S/C23H28N4O4S/c1-14-7-8-16-17(10-14)27(13-18(28)19-6-5-9-32-19)21(30)15(25-22(24)31)12-26(16)20(29)11-23(2,3)4/h5-10,15H,11-13H2,1-4H3,(H3,24,25,31)