ethyl 2-[1-(4-propylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(4-propylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-propylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-propylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(4-propylphenyl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C23H30N2O2S2/c1-4-8-16-11-13-17(14-12-16)15(3)24-23(28)25-21-20(22(26)27-5-2)18-9-6-7-10-19(18)29-21/h11-15H,4-10H2,1-3H3,(H2,24,25,28)