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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-4-phenyl-piperazine-1-carbothioamide Formula: C27H34N6S MolecularWeight: 474.66406

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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=CC=C5)C(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6S/c1-3-30-11-13-32(14-12-30)26-19-21(2)24-20-22(9-10-25(24)29-26)28-27(34)33-17-15-31(16-18-33)23-7-5-4-6-8-23/h4-10,19-20H,3,11-18H2,1-2H3,(H,28,34)