N-(3-methoxyquinoxalin-2-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyquinoxalin-2-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-methoxyquinoxalin-2-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(3-methoxy-2-quinoxalinyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyquinoxalin-2-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-methoxyquinoxalin-2-yl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2N=C1NC(=S)N3CCN(CC3)C4=CC=CC=C4SC

Isomeric SMILES

COC1=NC2=CC=CC=C2N=C1NC(=S)N3CCN(CC3)C4=CC=CC=C4SC

InChI

InChI=1S/C21H23N5OS2/c1-27-20-19(22-15-7-3-4-8-16(15)23-20)24-21(28)26-13-11-25(12-14-26)17-9-5-6-10-18(17)29-2/h3-10H,11-14H2,1-2H3,(H,22,24,28)