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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)C

InChI

InChI=1S/C21H22N4O3S2/c1-4-16-13(2)30-19(17(16)20(27)28-3)22-21(29)24-23-18(26)14-7-9-15(10-8-14)25-11-5-6-12-25/h5-12H,4H2,1-3H3,(H,23,26)(H2,22,24,29)