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

Systemtic Name: 3,4-dimethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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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)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5S2/c1-25-12-6-3-9(7-13(12)26-2)15(22)19-16(27)20-17-18-11-5-4-10(21(23)24)8-14(11)28-17/h3-8H,1-2H3,(H2,18,19,20,22,27)