4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S/c1-26-18-7-8-20(27-2)16(13-18)15-23-9-11-24(12-10-23)21(25)22-17-5-4-6-19(14-17)28-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)