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

Systemtic Name: 2-azanyl-N-[7-chloranyl-2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[7-chloro-2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[7-chloro-2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[7-chloro-2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[7-chloro-2-keto-1-(2-ketoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC=O)C(=O)C(CS)N

Isomeric SMILES

CN(C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC=O)C(=O)C(CS)N

InChI

InChI=1S/C21H21ClN4O3S/c1-25(20(28)16(23)12-30)19-21(29)26(9-10-27)17-8-7-14(22)11-15(17)18(24-19)13-5-3-2-4-6-13/h2-8,10-11,16,19,30H,9,12,23H2,1H3