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

Systemtic Name: methyl 4-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate CAS Name: 4-[[[2-chloro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[(2-chlorophenyl)-salicyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-25-18(24)11-6-12-21-19(26)22(16-9-4-3-8-15(16)20)13-14-7-2-5-10-17(14)23/h2-5,7-10,23H,6,11-13H2,1H3,(H,21,26)