2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-25-18-7-5-4-6-17(18)22-10-12-23(13-11-22)21(24)15-28-16-8-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3