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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-ethyl-piperazine-1-carbothioamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCNC(=S)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H21N3O3S/c1-2-17-16(23)19-9-7-18(8-10-19)15(20)14-11-21-12-5-3-4-6-13(12)22-14/h3-6,14H,2,7-11H2,1H3,(H,17,23)