4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-[(4-fluorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C25H23FN2O2S2 MolecularWeight: 466.590723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O2S2/c1-30-20-11-14-23-22(16-20)27-25(32-23)28(17-18-6-3-2-4-7-18)24(29)8-5-15-31-21-12-9-19(26)10-13-21/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3