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

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]butyramide Formula: C13H14ClN3O2S2 MolecularWeight: 343.85216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=NC2=CC(=C(C=C2S1)OC)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=NC2=CC(=C(C=C2S1)OC)Cl

InChI

InChI=1S/C13H14ClN3O2S2/c1-3-4-11(18)16-12(20)17-13-15-8-5-7(14)9(19-2)6-10(8)21-13/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18,20)