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

Systemtic Name: 2-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Openeye Name: 2-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide CAS Name: 2-methyl-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Traditional Name: 2-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]propionamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3S2/c1-6(2)10(17)14-11(20)15-12-13-8-4-3-7(16(18)19)5-9(8)21-12/h3-6H,1-2H3,(H2,13,14,15,17,20)