2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C22H27N3O2S/c1-16-6-5-7-18(12-16)23-21(26)14-28-15-22(27)24-20-9-8-19(13-17(20)2)25-10-3-4-11-25/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,23,26)(H,24,27)