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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(4-propylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S2/c1-5-10-19-13-15-20(16-14-19)17(3)27-26(31)28-24-23(25(29)30-6-2)22(18(4)32-24)21-11-8-7-9-12-21/h7-9,11-17H,5-6,10H2,1-4H3,(H2,27,28,31)