methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

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