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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S3/c1-31-21-14-8-15-22-24(21)26-25(32-22)27(18-19-10-4-2-5-11-19)23(28)16-9-17-33(29,30)20-12-6-3-7-13-20/h2-8,10-15H,9,16-18H2,1H3