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

Systemtic Name: ethyl 2-(morpholin-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-2-22-15(20)13-11-5-3-4-6-12(11)24-14(13)17-16(23)18-19-7-9-21-10-8-19/h2-10H2,1H3,(H2,17,18,23)