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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H16N4O6S2 MolecularWeight: 448.47284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S2/c1-26-10-7-13(28-3)15-14(8-10)30-18(19-15)21-17(29)20-16(23)9-4-5-12(27-2)11(6-9)22(24)25/h4-8H,1-3H3,(H2,19,20,21,23,29)