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

Systemtic Name: N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N'-sulfanyl-pentanediamide Openeye Name: N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N'-sulfanyl-pentanediamide CAS Name: N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N'-mercaptopentanediamide IUPAC Name: N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N'-sulfanylpentanediamide Traditional Name: N-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N'-mercapto-glutaramide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)CCCC(=O)NS)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)CCCC(=O)NS)C3=CC=CC=C3

InChI

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