4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-26-18-11-16(19(27-2)10-15(18)22)23-21(30)25-7-5-24(6-8-25)12-14-3-4-17-20(9-14)29-13-28-17/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,23,30)