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

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-furylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-furanylmethyl)-4-[(4-methoxyphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C24H24N2O5S3 MolecularWeight: 516.65276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=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/C24H24N2O5S3/c1-30-17-7-9-19(10-8-17)32-14-4-6-23(27)26(16-18-5-3-13-31-18)24-25-21-12-11-20(34(2,28)29)15-22(21)33-24/h3,5,7-13,15H,4,6,14,16H2,1-2H3