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

Systemtic Name: 4-(3-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]piperazine-1-carbothioamide Formula: C26H31ClN6S MolecularWeight: 495.08254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl)N5CCN(CC5)C

InChI

InChI=1S/C26H31ClN6S/c1-19-16-25(32-10-8-30(2)9-11-32)29-24-7-6-21(18-23(19)24)28-26(34)33-14-12-31(13-15-33)22-5-3-4-20(27)17-22/h3-7,16-18H,8-15H2,1-2H3,(H,28,34)