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

Systemtic Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-cyanoanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-2-28-20(26)18-14-29-19(24-18)13-25(17-6-4-3-5-7-17)21(27)23-16-10-8-15(12-22)9-11-16/h8-11,14,17H,2-7,13H2,1H3,(H,23,27)