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

Systemtic Name: 4-[[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(4-chloro-3-methyl-phenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-chloro-3-methylphenyl)carbamothioyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chloro-3-methyl-phenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C25H24ClN2O4S- MolecularWeight: 483.98706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C25H25ClN2O4S/c1-16-12-20(9-10-21(16)26)27-25(33)28(14-17-4-7-19(8-5-17)24(29)30)15-18-6-11-22(31-2)23(13-18)32-3/h4-13H,14-15H2,1-3H3,(H,27,33)(H,29,30)/p-1