N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C26H25FN2O3S2 MolecularWeight: 496.616703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN2O3S2/c1-31-21-14-15-22(32-2)25-24(21)28-26(34-25)29(17-18-7-4-3-5-8-18)23(30)9-6-16-33-20-12-10-19(27)11-13-20/h3-5,7-8,10-15H,6,9,16-17H2,1-2H3