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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-22-11-6-18-17(25)20-9-7-19(8-10-20)16(21)15-12-23-13-4-2-3-5-14(13)24-15/h2-5,15H,6-12H2,1H3,(H,18,25)