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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-tosyl-butyramide Formula: C26H26N2O3S3 MolecularWeight: 510.69124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C26H26N2O3S3/c1-19-10-13-22(14-11-19)34(30,31)16-6-9-25(29)28(18-20-7-4-3-5-8-20)26-27-23-15-12-21(32-2)17-24(23)33-26/h3-5,7-8,10-15,17H,6,9,16,18H2,1-2H3