N-(2-methylphenyl)-4-(3-methylquinolin-8-yl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-(3-methylquinolin-8-yl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-methyl-8-quinolyl)sulfonyl]-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-(3-methylquinolin-8-yl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-[(3-methyl-8-quinolyl)sulfonyl]-N-(o-tolyl)piperazine-1-carbothioamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C22H24N4O2S2/c1-16-14-18-7-5-9-20(21(18)23-15-16)30(27,28)26-12-10-25(11-13-26)22(29)24-19-8-4-3-6-17(19)2/h3-9,14-15H,10-13H2,1-2H3,(H,24,29)