4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]benzoate

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)methyl-[(4-phenoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorobenzyl)-[(4-phenoxyphenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C28H22ClN2O3S- MolecularWeight: 502.00388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CC3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CC3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H23ClN2O3S/c29-23-12-8-21(9-13-23)19-31(18-20-6-10-22(11-7-20)27(32)33)28(35)30-24-14-16-26(17-15-24)34-25-4-2-1-3-5-25/h1-17H,18-19H2,(H,30,35)(H,32,33)/p-1