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

Systemtic Name: methyl 2-(morpholin-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(morpholinocarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(morpholin-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(morpholinothiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3CCOCC3

InChI

InChI=1S/C15H21N3O3S2/c1-20-14(19)12-10-4-2-3-5-11(10)23-13(12)16-15(22)17-18-6-8-21-9-7-18/h2-9H2,1H3,(H2,16,17,22)