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

Systemtic Name: ethyl 2-[[3-methylbutyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl(p-tolylcarbamoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-methylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(p-tolylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C20H27N3O3S/c1-5-26-19(24)17-13-27-18(22-17)12-23(11-10-14(2)3)20(25)21-16-8-6-15(4)7-9-16/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,25)