methyl 3-[[2-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-isobutoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-isobutoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13(2)12-26-17-10-5-4-9-16(17)21-20(27)22-18(23)14-7-6-8-15(11-14)19(24)25-3/h4-11,13H,12H2,1-3H3,(H2,21,22,23,27)