N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-furanylmethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-furfuryl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H23N3O4S3 MolecularWeight: 513.65212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H23N3O4S3/c1-32-19-8-11-21-22(15-19)33-24(25-21)27(16-18-5-4-14-31-18)23(28)17-6-9-20(10-7-17)34(29,30)26-12-2-3-13-26/h4-11,14-15H,2-3,12-13,16H2,1H3