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

Systemtic Name: 3-azanyl-1-(2,2-dimethylpropanoyl)-7-methyl-5-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 3-amino-1-(2,2-dimethylpropanoyl)-7-methyl-5-[2-oxo-2-(3-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 3-amino-1-(2,2-dimethyl-1-oxopropyl)-7-methyl-5-[2-oxo-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 3-amino-1-(2,2-dimethylpropanoyl)-7-methyl-5-(2-oxo-2-thiophen-3-ylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 3-amino-5-[2-keto-2-(3-thienyl)ethyl]-7-methyl-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-13-5-6-16-17(9-13)23(11-18(25)14-7-8-28-12-14)19(26)15(22)10-24(16)20(27)21(2,3)4/h5-9,12,15H,10-11,22H2,1-4H3