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

Systemtic Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-cyanoanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-cyanophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N4O3S/c1-3-9-22(11-16-21-15(12-26-16)17(23)25-4-2)18(24)20-14-7-5-13(10-19)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H,20,24)