1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine CAS Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCNCC3

InChI

InChI=1S/C21H28N2O3S/c1-24-18-13-16(14-19(25-2)21(18)26-3)20(23-11-9-22-10-12-23)15-5-7-17(27-4)8-6-15/h5-8,13-14,20,22H,9-12H2,1-4H3