ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-dimethylpropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H26N2O2S2 MolecularWeight: 354.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C17H26N2O2S2/c1-5-17(3,4)19-16(22)18-14-13(15(20)21-6-2)11-9-7-8-10-12(11)23-14/h5-10H2,1-4H3,(H2,18,19,22)