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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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