N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(2-furfuryl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S3/c1-29-18-10-5-11-19-21(18)23-22(30-19)24(15-16-7-6-13-28-16)20(25)12-14-31(26,27)17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3