methyl 3-[(4-phenoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-phenoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-phenoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-phenoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-phenoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-27-21(26)16-7-5-6-15(14-16)20(25)24-22(29)23-17-10-12-19(13-11-17)28-18-8-3-2-4-9-18/h2-14H,1H3,(H2,23,24,25,29)