methyl 2-[(5-chloranyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(5-chloro-2-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-chloro-2-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H14ClN3O4S2/c1-25-13-6-4-10(19)8-11(13)15(23)21-17(27)22-18-20-12-5-3-9(16(24)26-2)7-14(12)28-18/h3-8H,1-2H3,(H2,20,21,22,23,27)