methyl 3-[4-aminocarbonyl-5-[(2,3-dimethylphenyl)carbonylcarbamothioylamino]pyrazol-1-yl]benzoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-[(2,3-dimethylphenyl)carbonylcarbamothioylamino]pyrazol-1-yl]benzoate Openeye Name: methyl 3-[4-carbamoyl-5-[(2,3-dimethylbenzoyl)carbamothioylamino]pyrazol-1-yl]benzoate CAS Name: 3-[4-carbamoyl-5-[[[[(2,3-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-[(2,3-dimethylbenzoyl)carbamothioylamino]pyrazol-1-yl]benzoate Traditional Name: 3-[4-carbamoyl-5-[(2,3-dimethylbenzoyl)thiocarbamoylamino]pyrazol-1-yl]benzoic acid methyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC(=C3)C(=O)OC)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC(=C3)C(=O)OC)C(=O)N

InChI

InChI=1S/C22H21N5O4S/c1-12-6-4-9-16(13(12)2)20(29)26-22(32)25-19-17(18(23)28)11-24-27(19)15-8-5-7-14(10-15)21(30)31-3/h4-11H,1-3H3,(H2,23,28)(H2,25,26,29,32)