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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H14ClN3OS2 MolecularWeight: 327.85276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3OS2/c1-7(2)6-10(18)15-12(19)17-13-16-11-8(14)4-3-5-9(11)20-13/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19)