ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H34N2O2S2 MolecularWeight: 458.67966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C25H34N2O2S2/c1-5-16(4)17-12-14-18(15-13-17)20(6-2)26-25(30)27-23-22(24(28)29-7-3)19-10-8-9-11-21(19)31-23/h12-16,20H,5-11H2,1-4H3,(H2,26,27,30)