4-(5-chloranyl-2-methyl-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28ClN3O2S/c1-16-4-6-18(23)15-19(16)25-10-12-26(13-11-25)22(29)24-9-8-17-5-7-20(27-2)21(14-17)28-3/h4-7,14-15H,8-13H2,1-3H3,(H,24,29)