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

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-furanylmethyl)-4-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-furfuryl)-N-(4-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=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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