N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propionamide Formula: C17H14ClFN2O2S2 MolecularWeight: 396.886663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C17H14ClFN2O2S2/c1-23-13-7-6-12(18)16-15(13)21-17(25-16)20-14(22)8-9-24-11-4-2-10(19)3-5-11/h2-7H,8-9H2,1H3,(H,20,21,22)