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

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-furfuryl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S3/c1-30-19-11-5-12-20-22(19)24-23(31-20)25(16-17-8-6-14-29-17)21(26)13-7-15-32(27,28)18-9-3-2-4-10-18/h2-6,8-12,14H,7,13,15-16H2,1H3