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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H24ClN3O3S/c1-25-17-7-5-4-6-16(17)23-8-10-24(11-9-23)20(28)22-15-13-18(26-2)14(21)12-19(15)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)