methyl 2-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C14H11ClIN3O3S2 MolecularWeight: 495.74291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)OC

InChI

InChI=1S/C14H11ClIN3O3S2/c1-6-10(12(21)22-2)24-14(17-6)19-13(23)18-11(20)8-5-7(16)3-4-9(8)15/h3-5H,1-2H3,(H2,17,18,19,20,23)