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

Systemtic Name: N-(4-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-4-(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)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

InChI

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