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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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