2,2-dimethyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]propionamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-13(2,3)10(18)15-11(21)16-12-14-8-5-4-7(17(19)20)6-9(8)22-12/h4-6H,1-3H3,(H2,14,15,16,18,21)