N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H21ClF3N5O2S MolecularWeight: 511.94765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OC

InChI

InChI=1S/C22H21ClF3N5O2S/c1-32-18-10-14-17(11-19(18)33-2)27-12-28-20(14)30-5-7-31(8-6-30)21(34)29-13-3-4-16(23)15(9-13)22(24,25)26/h3-4,9-12H,5-8H2,1-2H3,(H,29,34)