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

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3

InChI

InChI=1S/C24H31N3O3S/c1-18-8-7-9-19(14-18)26-24(29)17-31-16-23(28)25-15-21(27-12-5-6-13-27)20-10-3-4-11-22(20)30-2/h3-4,7-11,14,21H,5-6,12-13,15-17H2,1-2H3,(H,25,28)(H,26,29)