N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C19H20N2O3S3 MolecularWeight: 420.5687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S3/c1-25-19-21-16-10-9-15(12-17(16)26-19)20-18(22)8-5-11-27(23,24)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,20,22)