methyl 4-(phenethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(phenethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(phenethylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(phenethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(phenethylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(phenethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O3S/c1-23-17(22)15-9-7-14(8-10-15)16(21)20-18(24)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,20,21,24)