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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C

InChI

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