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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Formula: C18H17ClF3N3OS MolecularWeight: 415.86029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H17ClF3N3OS/c19-15-6-1-12(18(20,21)22)11-16(15)23-17(27)25-9-7-24(8-10-25)13-2-4-14(26)5-3-13/h1-6,11,26H,7-10H2,(H,23,27)