4-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(2,4-dimethoxyphenyl)-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethoxyphenyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C20H25N3O3S/c1-25-16-7-8-18(19(14-16)26-2)22-9-11-23(12-10-22)20(24)21-15-5-4-6-17(13-15)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)