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

Systemtic Name: ethyl 2-[[pentyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-isopropylphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[oxo-(4-propan-2-ylanilino)methyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[pentyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl(p-cumenylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H31N3O3S/c1-5-7-8-13-25(14-20-24-19(15-29-20)21(26)28-6-2)22(27)23-18-11-9-17(10-12-18)16(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,27)