methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(CC)C2=CC=C(C=C2)C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(CC)C2=CC=C(C=C2)C(C)CC)C(=O)OC

InChI

InChI=1S/C22H30N2O2S2/c1-6-14(4)15-9-11-16(12-10-15)19(8-3)23-22(27)24-20-18(21(25)26-5)13-17(7-2)28-20/h9-14,19H,6-8H2,1-5H3,(H2,23,24,27)