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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C22H30N2O3S/c1-4-6-8-14-24(15-20-23-19(16-28-20)22(26)27-3)21(25)18-12-10-17(11-13-18)9-7-5-2/h10-13,16H,4-9,14-15H2,1-3H3