N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Openeye Name: N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(3-methylphenoxy)ethylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Traditional Name: N-[2-(3-methylphenoxy)ethylthiocarbamoyl]nicotinamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H17N3O2S/c1-12-4-2-6-14(10-12)21-9-8-18-16(22)19-15(20)13-5-3-7-17-11-13/h2-7,10-11H,8-9H2,1H3,(H2,18,19,20,22)