N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-3-(phenylcarbonyl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-3-(phenylcarbonyl)benzamide Openeye Name: 3-benzoyl-N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: 3-benzoyl-N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]benzamide IUPAC Name: 3-benzoyl-N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 3-benzoyl-N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23N3O3S/c27-14-15-28-26(32)23(18-33-17-19-8-3-1-4-9-19)29-25(31)22-13-7-12-21(16-22)24(30)20-10-5-2-6-11-20/h1-13,16,23H,15,17-18H2,(H,28,32)(H,29,31)