ethyl 4-methyl-2-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-benzyloxybenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-phenylmethoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-benzoxybenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O4S2/c1-3-28-20(27)18-14(2)23-22(31-18)25-21(30)24-19(26)16-9-11-17(12-10-16)29-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H2,23,24,25,26,30)