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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

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