ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]-5-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(=C1)C2=CC=CC=C2)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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