N-(3-azanyl-3-sulfanylidene-propyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(3-azanyl-3-sulfanylidene-propyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(3-amino-3-thioxo-propyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(3-amino-3-thioxo-propyl)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)C(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CN(CCC(=S)N)C(=O)C1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H16N2O3S/c1-15(7-6-12(14)19)13(16)11-8-17-9-4-2-3-5-10(9)18-11/h2-5,11H,6-8H2,1H3,(H2,14,19)