4-methoxy-3-nitro-N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H12N4O5S2 MolecularWeight: 404.42028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S2/c1-25-12-5-2-8(6-11(12)20(23)24)14(22)18-15(26)19-16-17-10-4-3-9(21)7-13(10)27-16/h2-7,21H,1H3,(H2,17,18,19,22,26)