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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C19H21ClFN3OS MolecularWeight: 393.905943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3OS/c1-25-16-4-2-3-15(12-16)22-19(26)24-9-7-23(8-10-24)13-14-5-6-18(21)17(20)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)