methyl 2-[[(4-hexylphenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-hexylphenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-hexylbenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-hexylphenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-hexylbenzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCC)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCC)CC2=NC(=CS2)C(=O)OC

InChI

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