N-[(4-pentylphenyl)carbamothioyl]pyrazine-2-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]pyrazine-2-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]pyrazine-2-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-2-pyrazinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]pyrazine-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]pyrazinamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-2-3-4-5-13-6-8-14(9-7-13)20-17(23)21-16(22)15-12-18-10-11-19-15/h6-12H,2-5H2,1H3,(H2,20,21,22,23)