ethyl 2-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S2/c1-4-30-20(27)18-17(13-8-6-5-7-9-13)23-22(32-18)25-21(31)24-19(26)14-10-15(28-2)12-16(11-14)29-3/h5-12H,4H2,1-3H3,(H2,23,24,25,26,31)