N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C17H12N4O5S2 MolecularWeight: 416.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S2/c22-15(9-1-4-12-13(7-9)26-6-5-25-12)19-16(27)20-17-18-11-3-2-10(21(23)24)8-14(11)28-17/h1-4,7-8H,5-6H2,(H2,18,19,20,22,27)