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

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-2-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-2-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]quinoxaline-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]quinoxaline-2-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=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H22N4OS/c1-2-3-4-7-15-10-12-16(13-11-15)23-21(27)25-20(26)19-14-22-17-8-5-6-9-18(17)24-19/h5-6,8-14H,2-4,7H2,1H3,(H2,23,25,26,27)