4-(2-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(2-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[2-(methylthio)phenyl]-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(methylthio)phenyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O4S/c1-26-17-13-15(14-18(27-2)20(17)28-3)22-21(25)24-11-9-23(10-12-24)16-7-5-6-8-19(16)29-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)