(2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(2,5-dimethoxybenzyl)piperazino]methanone Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-26-16-4-7-20(27-2)15(12-16)14-23-8-10-24(11-9-23)21(25)18-13-17(28-3)5-6-19(18)22/h4-7,12-13H,8-11,14H2,1-3H3