4-(1,3-benzodioxol-5-yloxy)-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-chloro-2,5-dimethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4)OC)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-25-18-11-16(19(26-2)10-15(18)22)23-21(30)24-7-5-13(6-8-24)29-14-3-4-17-20(9-14)28-12-27-17/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,23,30)