N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C23H21FN2O2S2 MolecularWeight: 440.553443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C23H21FN2O2S2/c24-19-10-4-11-20-22(19)25-23(30-20)26(15-18-9-5-13-28-18)21(27)12-6-14-29-16-17-7-2-1-3-8-17/h1-5,7-11,13H,6,12,14-16H2