methyl 4-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(4-phenoxyphenyl)thiazol-2-yl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[[4-(4-phenoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(4-phenoxyphenyl)thiazol-2-yl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H19N3O4S2/c1-31-23(30)18-9-7-17(8-10-18)22(29)27-24(33)28-25-26-21(15-34-25)16-11-13-20(14-12-16)32-19-5-3-2-4-6-19/h2-15H,1H3,(H2,26,27,28,29,33)