4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-25-17-11-14(12-18(26-2)19(17)27-3)21-20(28)23-9-7-22(8-10-23)15-5-4-6-16(24)13-15/h4-6,11-13,24H,7-10H2,1-3H3,(H,21,28)