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

Systemtic Name: 4-(4-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]piperazine-1-carbothioamide Formula: C26H31FN6S MolecularWeight: 478.627943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN6S/c1-19-17-25(32-11-9-30(2)10-12-32)29-24-8-5-21(18-23(19)24)28-26(34)33-15-13-31(14-16-33)22-6-3-20(27)4-7-22/h3-8,17-18H,9-16H2,1-2H3,(H,28,34)