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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-piperonyl-piperazine-1-carbothioamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N3O4S/c28-20(21-15-2-4-17-19(10-15)27-13-25-17)23-7-5-22(6-8-23)11-14-1-3-16-18(9-14)26-12-24-16/h1-4,9-10H,5-8,11-13H2,(H,21,28)