2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[2-[(2-amino-2-oxoethyl)thio]anilino]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC(=O)NC2=CC=C(C=C2)CC#N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NCC(=O)NC2=CC=C(C=C2)CC#N)SCC(=O)N

InChI

InChI=1S/C18H18N4O2S/c19-10-9-13-5-7-14(8-6-13)22-18(24)11-21-15-3-1-2-4-16(15)25-12-17(20)23/h1-8,21H,9,11-12H2,(H2,20,23)(H,22,24)