methyl 3-chloranyl-6-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2-hydroxy-2,2-diphenyl-acetyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-hydroxy-1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2-hydroxy-2,2-diphenylacetyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(benziloylamino)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C25H20ClN3O4S2 MolecularWeight: 526.027

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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)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)Cl

InChI

InChI=1S/C25H20ClN3O4S2/c1-33-22(30)21-20(26)18-13-12-17(14-19(18)35-21)27-24(34)29-28-23(31)25(32,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,32H,1H3,(H,28,31)(H2,27,29,34)