4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O6S/c1-25-19-10-14(11-20(26-2)21(19)27-3)23-22(31)24-8-6-15(7-9-24)30-16-4-5-17-18(12-16)29-13-28-17/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,23,31)