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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H23N3O4S/c1-24-15-4-5-16(18(12-15)25-2)22-7-9-23(10-8-22)20(28)21-14-3-6-17-19(11-14)27-13-26-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,28)