N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,4-dimethoxyphenyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H25N3O4S/c1-25-16-4-5-17(19(12-16)26-2)23-7-9-24(10-8-23)21(29)22-13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,29)