methyl 3-(2-morpholin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(2-morpholinoethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-[[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(2-morpholinoethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCCN3CCOCC3

InChI

InChI=1S/C17H21N3O3S2/c1-22-16(21)15-14(12-4-2-3-5-13(12)25-15)19-17(24)18-6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H2,18,19,24)