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

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-17-6-5-9-19(12-17)23-21(26)15-28-16-22(27)24-20-10-11-25(14-20)13-18-7-3-2-4-8-18/h2-9,12,20H,10-11,13-16H2,1H3,(H,23,26)(H,24,27)