ethyl 5-(phenylmethyl)-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-p-cumenylethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S2/c1-5-30-25(29)23-16-22(15-19-9-7-6-8-10-19)32-24(23)28-26(31)27-18(4)21-13-11-20(12-14-21)17(2)3/h6-14,16-18H,5,15H2,1-4H3,(H2,27,28,31)