methyl 4-[[4-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-isobutoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(4-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=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

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