methyl 4-[(2-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-isopropoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(2-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-isopropoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-12(2)25-16-7-5-4-6-15(16)20-19(26)21-17(22)13-8-10-14(11-9-13)18(23)24-3/h4-12H,1-3H3,(H2,20,21,22,26)