N-(4-chloranyl-3-fluoranyl-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-fluoro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-fluorophenyl)-4-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-fluorophenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-fluoro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21ClFN3S MolecularWeight: 377.906543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)F)C

InChI

InChI=1S/C19H21ClFN3S/c1-13-4-3-5-18(14(13)2)23-8-10-24(11-9-23)19(25)22-15-6-7-16(20)17(21)12-15/h3-7,12H,8-11H2,1-2H3,(H,22,25)