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

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(4-ethoxybenzyl)piperazino]methanone Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-26-17-6-4-16(5-7-17)15-23-10-12-24(13-11-23)21(25)19-14-18(27-2)8-9-20(19)22/h4-9,14H,3,10-13,15H2,1-2H3