ethyl 5-methyl-2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(4-phenoxybutanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(4-phenoxybutanoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(4-phenoxybutanoylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S2/c1-3-30-24(29)22-21(18-11-6-4-7-12-18)17(2)33-23(22)27-25(32)26-20(28)15-10-16-31-19-13-8-5-9-14-19/h4-9,11-14H,3,10,15-16H2,1-2H3,(H2,26,27,28,32)