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

Systemtic Name: methyl 2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S2/c1-26-17-10-8-15(9-11-17)12-13-23-22(28)24-20-18(21(25)27-2)14-19(29-20)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,23,24,28)