N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]butanamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]butyramide Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S2/c1-4-5-11(18)15-13(21)17-14-16-12-9(20-3)6-8(19-2)7-10(12)22-14/h6-7H,4-5H2,1-3H3,(H2,15,16,17,18,21)