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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S3/c1-25-15-9-10-16-17(12-15)26-19(20-16)21-18(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,20,21,22)