methyl 3-chloranyl-6-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H17ClN4O3S2 MolecularWeight: 484.97838

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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=CC=C(C=C3)N4C=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O3S2/c1-30-21(29)19-18(23)16-9-6-14(12-17(16)32-19)24-22(31)26-25-20(28)13-4-7-15(8-5-13)27-10-2-3-11-27/h2-12H,1H3,(H,25,28)(H2,24,26,31)