N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]butanamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]butanamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]butanamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]butyramide Formula: C12H11Cl2N3OS2 MolecularWeight: 348.27124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC(=C2Cl)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC(=C2Cl)Cl

InChI

InChI=1S/C12H11Cl2N3OS2/c1-2-3-8(18)15-11(19)17-12-16-10-7(20-12)5-4-6(13)9(10)14/h4-5H,2-3H2,1H3,(H2,15,16,17,18,19)