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

Systemtic Name: ethyl 2-(2-ethylhexylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-ethylhexylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylhexylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylhexylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H32N2O2S2 MolecularWeight: 396.61028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C20H32N2O2S2/c1-4-7-10-14(5-2)13-21-20(25)22-18-17(19(23)24-6-3)15-11-8-9-12-16(15)26-18/h14H,4-13H2,1-3H3,(H2,21,22,25)