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

Systemtic Name: 3-methyl-N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Openeye Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)O

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)O

InChI

InChI=1S/C13H15N3O2S2/c1-7(2)5-11(18)15-12(19)16-13-14-9-4-3-8(17)6-10(9)20-13/h3-4,6-7,17H,5H2,1-2H3,(H2,14,15,16,18,19)