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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]propanamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]propionamide Formula: C11H9Cl2N3OS2 MolecularWeight: 334.24466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9Cl2N3OS2/c1-2-7(17)14-10(18)16-11-15-9-6(19-11)4-3-5(12)8(9)13/h3-4H,2H2,1H3,(H2,14,15,16,17,18)