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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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