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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-3-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(10-2-1-3-12(8-10)19(21)22)18-16(25)17-11-4-5-13-14(9-11)24-7-6-23-13/h1-5,8-9H,6-7H2,(H2,17,18,20,25)