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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C27H33FN6S MolecularWeight: 492.654523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=C(C=C5)F)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=C(C=C5)F)C(=C2)C

InChI

InChI=1S/C27H33FN6S/c1-3-31-10-12-33(13-11-31)26-18-20(2)24-19-22(6-9-25(24)30-26)29-27(35)34-16-14-32(15-17-34)23-7-4-21(28)5-8-23/h4-9,18-19H,3,10-17H2,1-2H3,(H,29,35)