2-azanyl-N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-mercapto-N-methyl-propionamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O2S/c1-24-16-9-8-13(21)10-14(16)17(12-6-4-3-5-7-12)23-18(20(24)27)25(2)19(26)15(22)11-28/h3-10,15,18,28H,11,22H2,1-2H3