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

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazine-2-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazine-2-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-pyrazinecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazine-2-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]pyrazinamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C17H20N4O2S/c1-2-3-4-11-23-14-7-5-13(6-8-14)20-17(24)21-16(22)15-12-18-9-10-19-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,22,24)