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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2CCN(C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2CCN(C2)C3=CC=CC=C3

InChI

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