methyl 3-[(2,4,6-trimethylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2,4,6-trimethylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,4,6-trimethylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,4,6-trimethylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-(mesitylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

InChI

InChI=1S/C19H20N2O3S/c1-11-8-12(2)16(13(3)9-11)20-19(25)21-17(22)14-6-5-7-15(10-14)18(23)24-4/h5-10H,1-4H3,(H2,20,21,22,25)