2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-N-butyl-propanamide

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-N-butyl-propanamide Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-butyl-propanamide CAS Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-N-butylpropanamide IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-butylpropanamide Traditional Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-N-butyl-propionamide Formula: C14H19F3N2OS MolecularWeight: 320.37367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CCCCNC(=O)C(C)SC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C14H19F3N2OS/c1-3-4-7-19-13(20)9(2)21-12-6-5-10(8-11(12)18)14(15,16)17/h5-6,8-9H,3-4,7,18H2,1-2H3,(H,19,20)