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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-17-8-10-20(11-9-17)24-22(27)16-29-18(2)23(28)25-21-12-13-26(15-21)14-19-6-4-3-5-7-19/h3-11,18,21H,12-16H2,1-2H3,(H,24,27)(H,25,28)