methyl 3-[(4-propan-2-yloxyphenyl)methylcarbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-propan-2-yloxyphenyl)methylcarbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-isopropoxyphenyl)methylcarbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-propan-2-yloxyphenyl)methylcarbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-isopropoxybenzyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

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