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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

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