N-[(4-pentylphenyl)carbamothioyl]quinoxaline-6-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-6-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-6-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-6-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]quinoxaline-6-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C21H22N4OS/c1-2-3-4-5-15-6-9-17(10-7-15)24-21(27)25-20(26)16-8-11-18-19(14-16)23-13-12-22-18/h6-14H,2-5H2,1H3,(H2,24,25,26,27)