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

Systemtic Name: ethyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[[4-(methylthio)anilino]-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-4-6-7-12-23(13-18-22-17(14-28-18)19(24)26-5-2)20(25)21-15-8-10-16(27-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,25)