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

Systemtic Name: 2-azanyl-N-methyl-N-(5-naphthalen-2-yl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-sulfanyl-propanamide Openeye Name: 2-amino-N-methyl-N-[5-(2-naphthyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-methyl-N-[5-(2-naphthalenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-methyl-N-(5-naphthalen-2-yl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-sulfanylpropanamide Traditional Name: 2-amino-N-[2-keto-5-(2-naphthyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4C=C3)C(=O)C(CS)N

Isomeric SMILES

CN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4C=C3)C(=O)C(CS)N

InChI

InChI=1S/C23H22N4O2S/c1-27(23(29)18(24)13-30)21-22(28)25-19-9-5-4-8-17(19)20(26-21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12,18,21,30H,13,24H2,1H3,(H,25,28)