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

Systemtic Name: ethyl 2-[[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl(1-naphthylcarbamoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(1-naphthylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H27N3O3S/c1-4-29-22(27)20-15-30-21(24-20)14-26(13-12-16(2)3)23(28)25-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,15-16H,4,12-14H2,1-3H3,(H,25,28)