N-[3-[(4-chlorophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-[(4-chlorophenyl)methylsulfanylmethyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[[(4-chlorobenzyl)thio]methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)Cl)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)Cl)C(=O)NCC#N

InChI

InChI=1S/C19H18ClN3O2S/c20-16-8-6-14(7-9-16)12-26-13-17(19(25)22-11-10-21)23-18(24)15-4-2-1-3-5-15/h1-9,17H,11-13H2,(H,22,25)(H,23,24)