methyl 4-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate CAS Name: 4-[[[4-fluoro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[(4-fluorophenyl)-salicyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C19H21FN2O3S MolecularWeight: 376.445043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H21FN2O3S/c1-25-18(24)7-4-12-21-19(26)22(16-10-8-15(20)9-11-16)13-14-5-2-3-6-17(14)23/h2-3,5-6,8-11,23H,4,7,12-13H2,1H3,(H,21,26)