methyl 3-chloranyl-6-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(5-chloro-2-hydroxy-benzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(5-chloro-2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(5-chloro-2-hydroxybenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(5-chloro-2-hydroxy-benzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H13Cl2N3O4S2 MolecularWeight: 470.34952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=C(C=CC(=C3)Cl)O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=C(C=CC(=C3)Cl)O)Cl

InChI

InChI=1S/C18H13Cl2N3O4S2/c1-27-17(26)15-14(20)10-4-3-9(7-13(10)29-15)21-18(28)23-22-16(25)11-6-8(19)2-5-12(11)24/h2-7,24H,1H3,(H,22,25)(H2,21,23,28)