methyl 4-[[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H21FN2O3S MolecularWeight: 328.402243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H21FN2O3S/c1-10(11-6-7-13(20-2)12(16)9-11)18-15(22)17-8-4-5-14(19)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,22)/t10-/m0/s1