N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]nicotinamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-2-3-4-6-14-8-10-16(11-9-14)20-18(23)21-17(22)15-7-5-12-19-13-15/h5,7-13H,2-4,6H2,1H3,(H2,20,21,22,23)