N-[1-(cyanomethylamino)-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]benzamide Openeye Name: N-[3-benzylsulfanyl-1-(cyanomethylcarbamoyl)propyl]benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-4-(phenylmethylthio)butan-2-yl]benzamide IUPAC Name: N-[4-benzylsulfanyl-1-(cyanomethylamino)-1-oxobutan-2-yl]benzamide Traditional Name: N-[3-(benzylthio)-1-(cyanomethylcarbamoyl)propyl]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c21-12-13-22-20(25)18(23-19(24)17-9-5-2-6-10-17)11-14-26-15-16-7-3-1-4-8-16/h1-10,18H,11,13-15H2,(H,22,25)(H,23,24)