4-[[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate

Systemtic Name: 4-[[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C26H26ClN2O5S- MolecularWeight: 514.01304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H27ClN2O5S/c1-16-11-21(23(33-3)13-20(16)27)28-26(35)29(14-17-5-8-19(9-6-17)25(30)31)15-18-7-10-22(32-2)24(12-18)34-4/h5-13H,14-15H2,1-4H3,(H,28,35)(H,30,31)/p-1