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

Systemtic Name: N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H25N3O4S2/c1-2-3-6-18-17(25)19-7-9-20(10-8-19)26(21,22)14-4-5-15-16(13-14)24-12-11-23-15/h4-5,13H,2-3,6-12H2,1H3,(H,18,25)