methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-morpholinopropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-morpholinopropylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCN3CCOCC3

InChI

InChI=1S/C18H27N3O3S2/c1-23-17(22)15-13-5-2-3-6-14(13)26-16(15)20-18(25)19-7-4-8-21-9-11-24-12-10-21/h2-12H2,1H3,(H2,19,20,25)