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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S2/c1-7(2)5-11(18)15-12(21)16-13-14-9-4-3-8(17(19)20)6-10(9)22-13/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,18,21)