3-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]propionamide Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H18ClFN2O2S/c19-15-10-14(6-7-16(15)20)25-12-18(24)22(9-8-17(21)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,21,23)