N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(5,6-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=C(C=C2C(=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)F)OC

InChI

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