(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-N-propyl-propionamide Formula: C13H17ClFN3OS MolecularWeight: 317.809983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H17ClFN3OS/c1-3-6-16-12(19)8(2)17-13(20)18-9-4-5-11(15)10(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H2,17,18,20)/t8-/m0/s1