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

Systemtic Name: methyl 4-[[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-ethylphenyl)thiazole-4-carbonyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[2-(4-ethylphenyl)-4-thiazolyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[2-(4-ethylphenyl)thiazole-4-carbonyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-3-13-4-6-15(7-5-13)20-22-17(12-29-20)19(26)24-23-18(25)14-8-10-16(11-9-14)21(27)28-2/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)