N-(5-chloranyl-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H19ClF3N3OS MolecularWeight: 429.88687

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3OS/c1-27-17-6-5-14(20)12-16(17)24-18(28)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,28)