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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(2-phenyl-2-pyrrolidino-ethyl)propionamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2S/c1-18-10-12-21(13-11-18)26-23(28)17-30-19(2)24(29)25-16-22(27-14-6-7-15-27)20-8-4-3-5-9-20/h3-5,8-13,19,22H,6-7,14-17H2,1-2H3,(H,25,29)(H,26,28)