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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-iodanylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-iodophenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-iodophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-iodophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-iodophenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C19H20IN3O2S MolecularWeight: 481.35047

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4I

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4I

InChI

InChI=1S/C19H20IN3O2S/c20-15-3-1-2-4-16(15)21-19(26)23-9-7-22(8-10-23)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)