4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]piperazine-1-carbothioamide Formula: C28H36N6S MolecularWeight: 488.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C)C

InChI

InChI=1S/C28H36N6S/c1-20-6-5-7-26(22(20)3)32-14-16-34(17-15-32)28(35)29-23-8-9-25-24(19-23)21(2)18-27(30-25)33-12-10-31(4)11-13-33/h5-9,18-19H,10-17H2,1-4H3,(H,29,35)