N-(pyridin-3-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-(pyridin-3-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(3-pyridylmethylcarbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(pyridin-3-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(3-pyridylmethylthiocarbamoyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C16H15N3O3S/c20-15(12-3-4-13-14(8-12)22-7-6-21-13)19-16(23)18-10-11-2-1-5-17-9-11/h1-5,8-9H,6-7,10H2,(H2,18,19,20,23)