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

Systemtic Name: methyl N'-(4-heptylphenyl)carbonyl-N-pyridin-2-yl-carbamimidothioate Openeye Name: 4-heptyl-N-[methylsulfanyl-(2-pyridylamino)methylene]benzamide CAS Name: N'-[(4-heptylphenyl)-oxomethyl]-N-(2-pyridinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-heptylbenzoyl)-N-pyridin-2-ylcarbamimidothioate Traditional Name: 4-heptyl-N-[(methylthio)-(2-pyridylamino)methylene]benzamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-3-4-5-6-7-10-17-12-14-18(15-13-17)20(25)24-21(26-2)23-19-11-8-9-16-22-19/h8-9,11-16H,3-7,10H2,1-2H3,(H,22,23,24,25)