ethyl 2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H26N2O3S2/c1-3-29-23(27)21-16-20(15-18-7-5-4-6-8-18)31-22(21)26-24(30)25-14-13-17-9-11-19(28-2)12-10-17/h4-12,16H,3,13-15H2,1-2H3,(H2,25,26,30)