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

Systemtic Name: methyl 4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(2,4-dichlorophenyl)thiazol-2-yl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[4-(2,4-dichlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(2,4-dichlorophenyl)thiazol-2-yl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H13Cl2N3O3S2 MolecularWeight: 466.36082

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2N3O3S2/c1-27-17(26)11-4-2-10(3-5-11)16(25)23-18(28)24-19-22-15(9-29-19)13-7-6-12(20)8-14(13)21/h2-9H,1H3,(H2,22,23,24,25,28)