3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-19-7-9-21(10-8-19)26-24(29)18-30-16-13-23(28)25-22-11-14-27(15-12-22)17-20-5-3-2-4-6-20/h2-10,22H,11-18H2,1H3,(H,25,28)(H,26,29)