ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[N'-tert-butyl-N-(2-methyl-4-quinolyl)carbamimidoyl]amino]thiazole-4-carboxylate CAS Name: 2-[[tert-butylimino-[(2-methyl-4-quinolinyl)amino]methyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[N'-tert-butyl-N-(2-methyl-4-quinolyl)amidino]amino]thiazole-4-carboxylic acid ethyl ester Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=NC(C)(C)C)NC2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=NC(C)(C)C)NC2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H25N5O2S/c1-6-28-18(27)17-12-29-20(24-17)25-19(26-21(3,4)5)23-16-11-13(2)22-15-10-8-7-9-14(15)16/h7-12H,6H2,1-5H3,(H2,22,23,24,25,26)