ethyl 4-[(2,4-dichlorophenyl)methyl-[(3-phenylmethoxyphenyl)carbonylcarbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-[(3-phenylmethoxyphenyl)carbonylcarbamothioyl]amino]benzoate Openeye Name: ethyl 4-[(3-benzyloxybenzoyl)carbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-[(3-phenylmethoxybenzoyl)carbamothioyl]amino]benzoate Traditional Name: 4-[(3-benzoxybenzoyl)thiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C31H26Cl2N2O4S MolecularWeight: 593.52014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H26Cl2N2O4S/c1-2-38-30(37)22-12-15-26(16-13-22)35(19-24-11-14-25(32)18-28(24)33)31(40)34-29(36)23-9-6-10-27(17-23)39-20-21-7-4-3-5-8-21/h3-18H,2,19-20H2,1H3,(H,34,36,40)