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

Systemtic Name: methyl 2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H21BrN2O4S2 MolecularWeight: 533.45784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O4S2/c1-29-22(28)19-15-8-4-5-9-17(15)32-21(19)26-23(31)25-18(27)12-30-16-11-10-13-6-2-3-7-14(13)20(16)24/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3,(H2,25,26,27,31)