ethyl 2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-bromo-2-naphthoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O4S2 MolecularWeight: 547.48442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C24H23BrN2O4S2/c1-2-30-23(29)20-16-9-5-6-10-18(16)33-22(20)27-24(32)26-19(28)13-31-17-12-11-14-7-3-4-8-15(14)21(17)25/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H2,26,27,28,32)