2-methyl-N-[1-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]piperidin-4-yl]benzamide

Systemtic Name: 2-methyl-N-[1-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]piperidin-4-yl]benzamide Openeye Name: 2-methyl-N-[1-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoyl]-4-piperidyl]benzamide CAS Name: 2-methyl-N-[1-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]-4-piperidinyl]benzamide IUPAC Name: 2-methyl-N-[1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoyl]-4-piperidyl]-2-methyl-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H31N3O3S/c1-17-8-10-20(11-9-17)26-23(29)16-32-19(3)25(31)28-14-12-21(13-15-28)27-24(30)22-7-5-4-6-18(22)2/h4-11,19,21H,12-16H2,1-3H3,(H,26,29)(H,27,30)