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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-methoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Formula: C17H25N3O5S2 MolecularWeight: 415.5275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S2/c1-23-10-2-5-18-17(26)19-6-8-20(9-7-19)27(21,22)14-3-4-15-16(13-14)25-12-11-24-15/h3-4,13H,2,5-12H2,1H3,(H,18,26)