N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-(2-furylmethyl)-3-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-(2-furfuryl)-3-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C23H22N2O4S3/c1-15(2)32(27,28)18-9-4-7-16(13-18)22(26)25(14-17-8-6-12-29-17)23-24-21-19(30-3)10-5-11-20(21)31-23/h4-13,15H,14H2,1-3H3