N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C14H16ClN3OS2 MolecularWeight: 341.87934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C14H16ClN3OS2/c1-7(2)4-12(19)17-13(20)18-14-16-10-6-9(15)8(3)5-11(10)21-14/h5-7H,4H2,1-3H3,(H2,16,17,18,19,20)