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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: 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]butanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O3S2/c1-24-14-9-10-15(25-2)18-17(14)22-19(27-18)21-16(23)4-3-11-26-13-7-5-12(20)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,21,22,23)