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

Systemtic Name: ethyl 2-[[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(3-ethylanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-3-16-9-8-10-17(13-16)23-22(27)25(18-11-6-5-7-12-18)14-20-24-19(15-29-20)21(26)28-4-2/h8-10,13,15,18H,3-7,11-12,14H2,1-2H3,(H,23,27)