ethyl 2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenoxybutanoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(4-phenoxybutanoylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4S2/c1-2-29-23(28)21-19(17-10-5-3-6-11-17)16-32-22(21)26-24(31)25-20(27)14-9-15-30-18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,14-15H2,1H3,(H2,25,26,27,31)