N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethylquinoxalin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethylquinoxalin-2-yl)piperazine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethylquinoxalin-2-yl)piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethyl-2-quinoxalinyl)-1-piperazinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethylquinoxalin-2-yl)piperazine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-ethylquinoxalin-2-yl)piperazine-1-carbothioamide Formula: C23H21F6N5S MolecularWeight: 513.501759

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H21F6N5S/c1-2-17-20(32-19-6-4-3-5-18(19)31-17)33-7-9-34(10-8-33)21(35)30-16-12-14(22(24,25)26)11-15(13-16)23(27,28)29/h3-6,11-13H,2,7-10H2,1H3,(H,30,35)