methyl 3-chloranyl-6-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClIN5O3S2 MolecularWeight: 549.79359

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)I

InChI

InChI=1S/C16H13ClIN5O3S2/c1-23-6-9(18)12(22-23)14(24)20-21-16(27)19-7-3-4-8-10(5-7)28-13(11(8)17)15(25)26-2/h3-6H,1-2H3,(H,20,24)(H2,19,21,27)