2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H26N4O2S/c1-16-4-7-18(8-5-16)24-21(27)15-28-14-20(26)23-13-17-6-9-19(22-12-17)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13-15H2,1H3,(H,23,26)(H,24,27)