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

Systemtic Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1-p-phenetylethylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C22H28N2O3S2/c1-4-26-16-12-10-15(11-13-16)14(3)23-22(28)24-20-19(21(25)27-5-2)17-8-6-7-9-18(17)29-20/h10-14H,4-9H2,1-3H3,(H2,23,24,28)