N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-furanylmethyl)-4-[(4-methylphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C24H24N2O4S3 MolecularWeight: 500.65336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H24N2O4S3/c1-17-7-9-19(10-8-17)31-14-4-6-23(27)26(16-18-5-3-13-30-18)24-25-21-12-11-20(33(2,28)29)15-22(21)32-24/h3,5,7-13,15H,4,6,14,16H2,1-2H3