methyl 4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-propoxy-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-propoxy-5-(trifluoromethyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H21F3N2O3S MolecularWeight: 378.40975

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H21F3N2O3S/c1-3-9-24-13-7-6-11(16(17,18)19)10-12(13)21-15(25)20-8-4-5-14(22)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H2,20,21,25)