2-azanyl-N-[5-(2,3-dimethylphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[5-(2,3-dimethylphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[5-(2,3-dimethylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[5-(2,3-dimethylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[5-(2,3-dimethylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[5-(2,3-dimethylphenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=NC(C(=O)NC3=CC=CC=C32)N(C)C(=O)C(CS)N

Isomeric SMILES

CC1=CC=CC(=C1C)C2=NC(C(=O)NC3=CC=CC=C32)N(C)C(=O)C(CS)N

InChI

InChI=1S/C21H24N4O2S/c1-12-7-6-9-14(13(12)2)18-15-8-4-5-10-17(15)23-20(26)19(24-18)25(3)21(27)16(22)11-28/h4-10,16,19,28H,11,22H2,1-3H3,(H,23,26)