tert-butyl 2-butyl-3-(2,4-dimethoxyphenyl)carbothioyl-2H-imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-butyl-3-(2,4-dimethoxyphenyl)carbothioyl-2H-imidazole-1-carboxylate Openeye Name: tert-butyl 2-butyl-3-(2,4-dimethoxybenzenecarbothioyl)-2H-imidazole-1-carboxylate CAS Name: 2-butyl-3-[(2,4-dimethoxyphenyl)-sulfanylidenemethyl]-2H-imidazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butyl-3-(2,4-dimethoxybenzenecarbothioyl)-2H-imidazole-1-carboxylate Traditional Name: 2-butyl-3-(2,4-dimethoxythiobenzoyl)-4-imidazoline-1-carboxylic acid tert-butyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=CN1C(=O)OC(C)(C)C)C(=S)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCC1N(C=CN1C(=O)OC(C)(C)C)C(=S)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H30N2O4S/c1-7-8-9-18-22(12-13-23(18)20(24)27-21(2,3)4)19(28)16-11-10-15(25-5)14-17(16)26-6/h10-14,18H,7-9H2,1-6H3