N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)OC)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-28-20-13-19(21(29-2)12-18(20)23)24-22(27)15-26-10-8-25(9-11-26)14-16-4-6-17(30-3)7-5-16/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)