methyl N'-(4-pentylphenyl)carbonyl-N-pyridin-3-yl-carbamimidothioate

Systemtic Name: methyl N'-(4-pentylphenyl)carbonyl-N-pyridin-3-yl-carbamimidothioate Openeye Name: N-[methylsulfanyl-(3-pyridylamino)methylene]-4-pentyl-benzamide CAS Name: N'-[oxo-(4-pentylphenyl)methyl]-N-(3-pyridinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-pentylbenzoyl)-N-pyridin-3-ylcarbamimidothioate Traditional Name: 4-amyl-N-[(methylthio)-(3-pyridylamino)methylene]benzamide Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N=C(NC2=CN=CC=C2)SC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N=C(NC2=CN=CC=C2)SC

InChI

InChI=1S/C19H23N3OS/c1-3-4-5-7-15-9-11-16(12-10-15)18(23)22-19(24-2)21-17-8-6-13-20-14-17/h6,8-14H,3-5,7H2,1-2H3,(H,21,22,23)