N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Formula: C17H17ClFN3OS MolecularWeight: 365.852783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3OS/c18-15-11-12(1-6-16(15)19)20-17(24)22-9-7-21(8-10-22)13-2-4-14(23)5-3-13/h1-6,11,23H,7-10H2,(H,20,24)