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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-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:

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

Isomeric SMILES

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

InChI

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