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

Systemtic Name: methyl 2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(2-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(2-methoxyphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O3S2/c1-27-20-11-7-6-10-17(20)12-13-24-23(29)25-21-19(22(26)28-2)15-18(30-21)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,24,25,29)