butyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-[(4-chlorophenyl)carbamoylamino]thiazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-[[(4-chloroanilino)-oxomethyl]amino]-4-thiazolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)carbamoylamino]thiazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-2-3-12-31-20(29)14-4-8-16(9-5-14)24-19(28)18-13-32-22(26-18)27-21(30)25-17-10-6-15(23)7-11-17/h4-11,13H,2-3,12H2,1H3,(H,24,28)(H2,25,26,27,30)