2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-18-9-11-20(12-10-18)25-23(28)17-29-16-22(27)24-15-21(26-13-5-6-14-26)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,24,27)(H,25,28)