4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H26N4O4S2/c1-19(2)6-5-18-17(26)20-7-9-21(10-8-20)27(22,23)14-3-4-15-16(13-14)25-12-11-24-15/h3-4,13H,5-12H2,1-2H3,(H,18,26)