methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-furoyl)amino]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H16BrN3O4S2 MolecularWeight: 458.34994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H16BrN3O4S2/c1-23-15(22)12-8-4-2-3-5-10(8)26-14(12)18-16(25)20-19-13(21)9-6-7-11(17)24-9/h6-7H,2-5H2,1H3,(H,19,21)(H2,18,20,25)