methyl 1-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-18-9-11-21(12-10-18)26-22(28)17-32-19(2)23(29)27-15-13-25(14-16-27,24(30)31-3)20-7-5-4-6-8-20/h4-12,19H,13-17H2,1-3H3,(H,26,28)