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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c1-4-29-13-6-5-10(7-12(13)23(25)26)17(24)21-18(30)22-19-20-16-14(28-3)8-11(27-2)9-15(16)31-19/h5-9H,4H2,1-3H3,(H2,20,21,22,24,30)