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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C19H19FN2OS2 MolecularWeight: 374.495363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H19FN2OS2/c1-12-10-13(2)18-16(11-12)25-19(22-18)21-17(23)4-3-9-24-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)