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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H24N4O3S2 MolecularWeight: 504.62376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C26H24N4O3S2/c1-3-33-25(32)22-21(18-9-5-4-6-10-18)17(2)35-24(22)27-26(34)29-28-23(31)19-11-13-20(14-12-19)30-15-7-8-16-30/h4-16H,3H2,1-2H3,(H,28,31)(H2,27,29,34)