3-(butylamino)-N-carbamothioyl-6,7-dimethyl-quinoxaline-2-carboxamide

Systemtic Name: 3-(butylamino)-N-carbamothioyl-6,7-dimethyl-quinoxaline-2-carboxamide Openeye Name: 3-(butylamino)-N-carbamothioyl-6,7-dimethyl-quinoxaline-2-carboxamide CAS Name: 3-(butylamino)-N-carbamothioyl-6,7-dimethyl-2-quinoxalinecarboxamide IUPAC Name: 3-(butylamino)-N-carbamothioyl-6,7-dimethylquinoxaline-2-carboxamide Traditional Name: 3-(butylamino)-6,7-dimethyl-N-thiocarbamoyl-quinoxaline-2-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=C(C(=C2)C)C)N=C1C(=O)NC(=S)N

Isomeric SMILES

CCCCNC1=NC2=C(C=C(C(=C2)C)C)N=C1C(=O)NC(=S)N

InChI

InChI=1S/C16H21N5OS/c1-4-5-6-18-14-13(15(22)21-16(17)23)19-11-7-9(2)10(3)8-12(11)20-14/h7-8H,4-6H2,1-3H3,(H,18,20)(H3,17,21,22,23)