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

Systemtic Name: methyl 2-[[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-cyanophenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-27-19(25)17-13-28-18(23-17)12-24(16-8-3-2-4-9-16)20(26)22-15-7-5-6-14(10-15)11-21/h5-7,10,13,16H,2-4,8-9,12H2,1H3,(H,22,26)