methyl 6-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[2-chloro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[(2-chlorophenyl)-salicyl-thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-27-20(26)13-3-2-8-14-23-21(28)24(18-11-6-5-10-17(18)22)15-16-9-4-7-12-19(16)25/h4-7,9-12,25H,2-3,8,13-15H2,1H3,(H,23,28)