methyl N'-(4-heptylphenyl)carbonyl-N-(6-methylpyridin-2-yl)carbamimidothioate

Systemtic Name: methyl N'-(4-heptylphenyl)carbonyl-N-(6-methylpyridin-2-yl)carbamimidothioate Openeye Name: 4-heptyl-N-[[(6-methyl-2-pyridyl)amino]-methylsulfanyl-methylene]benzamide CAS Name: N'-[(4-heptylphenyl)-oxomethyl]-N-(6-methyl-2-pyridinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-heptylbenzoyl)-N-(6-methylpyridin-2-yl)carbamimidothioate Traditional Name: 4-heptyl-N-[[(6-methyl-2-pyridyl)amino]-(methylthio)methylene]benzamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)N=C(NC2=CC=CC(=N2)C)SC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)N=C(NC2=CC=CC(=N2)C)SC

InChI

InChI=1S/C22H29N3OS/c1-4-5-6-7-8-11-18-13-15-19(16-14-18)21(26)25-22(27-3)24-20-12-9-10-17(2)23-20/h9-10,12-16H,4-8,11H2,1-3H3,(H,23,24,25,26)