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

Systemtic Name: ethyl 2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(2-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[2-(2-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(2-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=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3OC

InChI

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