ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H19ClN2O3S2 MolecularWeight: 410.93806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H19ClN2O3S2/c1-2-24-17(23)11-7-9-21(10-8-11)18(25)20-16(22)15-14(19)12-5-3-4-6-13(12)26-15/h3-6,11H,2,7-10H2,1H3,(H,20,22,25)