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

Systemtic Name: 1-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]isonipecotamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3S/c1-18-7-9-21(10-8-18)26-22(28)16-31-17-23(29)27-13-11-20(12-14-27)24(30)25-15-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,25,30)(H,26,28)