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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]propionamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3

InChI

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