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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-piperazine-1-carbothioamide Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S2/c1-2-16-15(23)17-5-7-18(8-6-17)24(19,20)12-3-4-13-14(11-12)22-10-9-21-13/h3-4,11H,2,5-10H2,1H3,(H,16,23)