ethyl 5-phenyl-2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-2-32-24(31)20-16-21(17-8-4-3-5-9-17)34-23(20)26-25(33)28-27-22(30)18-10-12-19(13-11-18)29-14-6-7-15-29/h3-16H,2H2,1H3,(H,27,30)(H2,26,28,33)