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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H32N2O2S2 MolecularWeight: 480.68518

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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)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S2/c1-6-17(3)19-13-15-20(16-14-19)22(7-2)28-27(32)29-25-24(26(30)31-5)23(18(4)33-25)21-11-9-8-10-12-21/h8-17,22H,6-7H2,1-5H3,(H2,28,29,32)