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

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(6-pyrrolidin-1-yl-3-pyridyl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(6-pyrrolidino-3-pyridyl)acetamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-15-5-4-6-16(11-15)22-19(25)13-27-14-20(26)23-17-7-8-18(21-12-17)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,22,25)(H,23,26)