N-ethyl-4-(3-methylquinolin-8-yl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(3-methylquinolin-8-yl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[(3-methyl-8-quinolyl)sulfonyl]piperazine-1-carbothioamide CAS Name: N-ethyl-4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-(3-methylquinolin-8-yl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-[(3-methyl-8-quinolyl)sulfonyl]piperazine-1-carbothioamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C17H22N4O2S2/c1-3-18-17(24)20-7-9-21(10-8-20)25(22,23)15-6-4-5-14-11-13(2)12-19-16(14)15/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,24)