ethyl 2-[(4-chlorophenyl)carbamoyl-(propylcarbamoylamino)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbamoyl-(propylcarbamoylamino)amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)carbamoyl-(propylcarbamoylamino)amino]thiazole-4-carboxylate CAS Name: 2-[[(4-chloroanilino)-oxomethyl]-[[oxo(propylamino)methyl]amino]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamoyl-(propylcarbamoylamino)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-chlorophenyl)carbamoyl-(propylcarbamoylamino)amino]thiazole-4-carboxylic acid ethyl ester Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NN(C1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)NN(C1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN5O4S/c1-3-9-19-15(25)22-23(16(26)20-12-7-5-11(18)6-8-12)17-21-13(10-28-17)14(24)27-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,26)(H2,19,22,25)