N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-mesyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H12N4O5S4 MolecularWeight: 492.57168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S4/c1-31(26,27)11-3-4-12-14(8-11)30-18(19-12)21-17(28)20-16(23)15-7-9-6-10(22(24)25)2-5-13(9)29-15/h2-8H,1H3,(H2,19,20,21,23,28)