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

Systemtic Name: N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-furylmethyl)-3-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-furanylmethyl)-3-[(4-methoxyphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H22N2O5S3 MolecularWeight: 502.62618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H22N2O5S3/c1-29-16-8-10-18(11-9-16)31-14-12-21(26)25(15-17-5-4-13-30-17)23-24-22-19(32-23)6-3-7-20(22)33(2,27)28/h3-11,13H,12,14-15H2,1-2H3