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

Systemtic Name: ethyl 2-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-benzoylbenzoyl)carbamothioylamino]thiazole-4-carboxylate CAS Name: 2-[[[[(4-benzoylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzoylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-benzoylbenzoyl)thiocarbamoylamino]thiazole-4-carboxylic acid ethyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S2/c1-2-28-19(27)16-12-30-21(22-16)24-20(29)23-18(26)15-10-8-14(9-11-15)17(25)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,22,23,24,26,29)