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

Systemtic Name: ethyl 2-(phenylazanylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(anilinocarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(phenylhydrazo)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(anilinocarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(anilinothiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S2/c1-2-23-17(22)15-13-10-6-7-11-14(13)25-16(15)19-18(24)21-20-12-8-4-3-5-9-12/h3-5,8-9,20H,2,6-7,10-11H2,1H3,(H2,19,21,24)