methyl 4-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]carbamoyl]benzoate CAS Name: 4-[[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]benzoate Traditional Name: 4-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]carbamoyl]benzoic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O4S/c1-12-16(28-19(21-12)14-6-4-3-5-7-14)18(25)23-22-17(24)13-8-10-15(11-9-13)20(26)27-2/h3-11H,1-2H3,(H,22,24)(H,23,25)