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

Systemtic Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(3-cyanophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-3-5-6-10-24(13-18-23-17(14-28-18)19(25)27-4-2)20(26)22-16-9-7-8-15(11-16)12-21/h7-9,11,14H,3-6,10,13H2,1-2H3,(H,22,26)