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

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]propionamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c1-19-7-11-22(12-8-19)28-25(30)18-33-20(2)26(31)27-17-24(29-15-5-4-6-16-29)21-9-13-23(32-3)14-10-21/h7-14,20,24H,4-6,15-18H2,1-3H3,(H,27,31)(H,28,30)