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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H13Cl2N3OS2 MolecularWeight: 362.29782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3OS2/c1-6(2)5-9(19)16-12(20)18-13-17-11-8(21-13)4-3-7(14)10(11)15/h3-4,6H,5H2,1-2H3,(H2,16,17,18,19,20)