methyl 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]carbamothioylamino]benzoate Traditional Name: 2-[[4-(4-chlorobenzyl)oxy-3-methoxy-benzoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H21ClN2O5S MolecularWeight: 484.95194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H21ClN2O5S/c1-30-21-13-16(9-12-20(21)32-14-15-7-10-17(25)11-8-15)22(28)27-24(33)26-19-6-4-3-5-18(19)23(29)31-2/h3-13H,14H2,1-2H3,(H2,26,27,28,33)