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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3S2/c1-2-3-10(17)14-11(20)15-12-13-8-5-4-7(16(18)19)6-9(8)21-12/h4-6H,2-3H2,1H3,(H2,13,14,15,17,20)