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

Systemtic Name: ethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(tetralin-1-ylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(tetralin-1-ylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCC4=CC=CC=C34

InChI

InChI=1S/C22H26N2O2S2/c1-2-26-21(25)19-16-11-5-6-13-18(16)28-20(19)24-22(27)23-17-12-7-9-14-8-3-4-10-15(14)17/h3-4,8,10,17H,2,5-7,9,11-13H2,1H3,(H2,23,24,27)