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

Systemtic Name: methyl 4-[[(2-hydroxyphenyl)methyl-(2-methoxyphenyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(2-hydroxyphenyl)methyl-(2-methoxyphenyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[N-[(2-hydroxyphenyl)methyl]-2-methoxyanilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-hydroxyphenyl)methyl-(2-methoxyphenyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[(2-methoxyphenyl)-salicyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC2=CC=CC=C2O)C(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N(CC2=CC=CC=C2O)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H24N2O4S/c1-25-18-11-6-4-9-16(18)22(14-15-8-3-5-10-17(15)23)20(27)21-13-7-12-19(24)26-2/h3-6,8-11,23H,7,12-14H2,1-2H3,(H,21,27)