1-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[4-(methylthio)anilino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(4-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-[4-(methylthio)anilino]ethyl]isonipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-20-9-7-19(8-10-20)24-21(26)16-25-13-11-18(12-14-25)22(27)23-15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,23,27)(H,24,26)