4-(5-chloranyl-2-methyl-phenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C20H24ClN3OS MolecularWeight: 389.94206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24ClN3OS/c1-15-3-6-17(21)13-19(15)23-9-11-24(12-10-23)20(26)22-14-16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)