methyl 2-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-naphthyloxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-naphthalen-2-yloxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-naphthoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N2O4S2/c1-28-22(27)20-17-8-4-5-9-18(17)31-21(20)25-23(30)24-19(26)13-29-16-11-10-14-6-2-3-7-15(14)12-16/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H2,24,25,26,30)