ethyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[1-(4-propylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2S2/c1-4-9-18-12-14-19(15-13-18)17(3)26-25(30)27-23-21(24(28)29-5-2)16-22(31-23)20-10-7-6-8-11-20/h6-8,10-17H,4-5,9H2,1-3H3,(H2,26,27,30)