ethyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-3-5-6-11-22(12-17-21-16(13-29-17)18(24)28-4-2)19(25)20-14-7-9-15(10-8-14)23(26)27/h7-10,13H,3-6,11-12H2,1-2H3,(H,20,25)