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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26ClN3O2S/c1-27-20-8-5-17(22)13-19(20)23-21(26)15-25-11-9-24(10-12-25)14-16-3-6-18(28-2)7-4-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)