N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C20H21ClF3N3OS MolecularWeight: 443.91345

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3OS/c1-13-12-26(9-10-27(13)15-4-6-16(28-2)7-5-15)19(29)25-14-3-8-18(21)17(11-14)20(22,23)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,29)