methyl 2-[[(4-butylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-butylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butylbenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butylphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butylbenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

InChI

InChI=1S/C22H30N2O3S/c1-5-6-7-17-8-10-18(11-9-17)21(25)24(13-12-16(2)3)14-20-23-19(15-28-20)22(26)27-4/h8-11,15-16H,5-7,12-14H2,1-4H3