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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-benzyl-4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethylthio)butanamide IUPAC Name: N-benzyl-4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-(benzylthio)-N-(4-fluoro-1,3-benzothiazol-2-yl)butyramide Formula: C25H23FN2OS2 MolecularWeight: 450.591323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H23FN2OS2/c26-21-13-7-14-22-24(21)27-25(31-22)28(17-19-9-3-1-4-10-19)23(29)15-8-16-30-18-20-11-5-2-6-12-20/h1-7,9-14H,8,15-18H2