N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-2-nitro-benzamide Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c20-15(11-3-1-2-4-12(11)19(21)22)18-16(25)17-10-5-6-13-14(9-10)24-8-7-23-13/h1-6,9H,7-8H2,(H2,17,18,20,25)