N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propionamide Formula: C18H17FN2OS2 MolecularWeight: 360.468783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2OS2/c1-11-9-15-16(10-12(11)2)24-18(20-15)21-17(22)7-8-23-14-5-3-13(19)4-6-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,21,22)