3-azanyl-1-(3,3-dimethylbutanoyl)-7-methyl-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 3-azanyl-1-(3,3-dimethylbutanoyl)-7-methyl-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 3-amino-1-(3,3-dimethylbutanoyl)-7-methyl-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 3-amino-1-(3,3-dimethyl-1-oxobutyl)-7-methyl-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 3-amino-1-(3,3-dimethylbutanoyl)-7-methyl-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 3-amino-1-(3,3-dimethylbutanoyl)-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-14-7-8-16-17(10-14)25(13-18(26)19-6-5-9-29-19)21(28)15(23)12-24(16)20(27)11-22(2,3)4/h5-10,15H,11-13,23H2,1-4H3