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

Systemtic Name: methyl 3-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-phenethyloxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(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=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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