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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-besyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S3/c1-24-18-20-15-10-9-13(12-16(15)25-18)19-17(21)8-5-11-26(22,23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,21)