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

Systemtic Name: methyl 4-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-phenethyloxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O4S/c1-29-23(28)19-12-10-18(11-13-19)22(27)26-24(31)25-20-8-5-9-21(16-20)30-15-14-17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H2,25,26,27,31)