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

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

InChI

InChI=1S/C25H33N3O3S/c1-19-7-6-8-21(15-19)27-25(30)18-32-17-24(29)26-16-23(28-13-4-3-5-14-28)20-9-11-22(31-2)12-10-20/h6-12,15,23H,3-5,13-14,16-18H2,1-2H3,(H,26,29)(H,27,30)