N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC)OC

InChI

InChI=1S/C21H26ClN3O4S/c1-26-14-5-6-17(20(11-14)29-4)24-7-9-25(10-8-24)21(30)23-16-13-18(27-2)15(22)12-19(16)28-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,30)