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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S2/c1-6-16(2)19-12-14-20(15-13-19)17(3)27-26(31)28-24-23(25(29)30-5)22(18(4)32-24)21-10-8-7-9-11-21/h7-17H,6H2,1-5H3,(H2,27,28,31)