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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[2-(3-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=C2)OC)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-18-7-5-9-20(13-18)26-24(29)17-31-16-23(28)25-15-22(27-11-3-4-12-27)19-8-6-10-21(14-19)30-2/h5-10,13-14,22H,3-4,11-12,15-17H2,1-2H3,(H,25,28)(H,26,29)