N-[6-(ethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-(ethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-(acetylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-(acetylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-(acetylthiocarbamoylamino)-1,3-benzothiazol-2-yl]butyramide Formula: C14H16N4O2S2 MolecularWeight: 336.43244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S2/c1-3-4-12(20)18-14-17-10-6-5-9(7-11(10)22-14)16-13(21)15-8(2)19/h5-7H,3-4H2,1-2H3,(H,17,18,20)(H2,15,16,19,21)