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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-besyl-piperazine-1-carbothioamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O4S2/c22-27(23,15-4-2-1-3-5-15)21-10-8-20(9-11-21)18(26)19-14-6-7-16-17(12-14)25-13-24-16/h1-7,12H,8-11,13H2,(H,19,26)