4-[[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate

Systemtic Name: 4-[[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(3-chloro-4-methoxy-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(3-chloro-4-methoxyphenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(3-chloro-4-methoxy-phenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C25H24ClN2O5S- MolecularWeight: 499.98646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)[O-])C(=S)NC3=CC(=C(C=C3)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)[O-])C(=S)NC3=CC(=C(C=C3)OC)Cl)OC

InChI

InChI=1S/C25H25ClN2O5S/c1-31-21-11-9-19(13-20(21)26)27-25(34)28(14-16-4-7-18(8-5-16)24(29)30)15-17-6-10-22(32-2)23(12-17)33-3/h4-13H,14-15H2,1-3H3,(H,27,34)(H,29,30)/p-1