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

Systemtic Name: (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-N-ethyl-propionamide Formula: C12H15ClFN3OS MolecularWeight: 303.783403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClFN3OS/c1-3-15-11(18)7(2)16-12(19)17-8-4-5-10(14)9(13)6-8/h4-7H,3H2,1-2H3,(H,15,18)(H2,16,17,19)/t7-/m0/s1