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

Systemtic Name: ethyl 2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1-p-cumenylethylthiocarbamoylamino)-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:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H30N2O2S2/c1-5-27-22(26)20-18-8-6-7-9-19(18)29-21(20)25-23(28)24-15(4)17-12-10-16(11-13-17)14(2)3/h10-15H,5-9H2,1-4H3,(H2,24,25,28)