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

Systemtic Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1-p-phenetylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O3S2/c1-4-28-18-12-10-16(11-13-18)15(2)24-23(29)25-21-19(22(26)27-3)14-20(30-21)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H2,24,25,29)