1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]nipecotamide Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N

InChI

InChI=1S/C16H16ClN3O2S2/c17-12-10-5-1-2-6-11(10)24-13(12)15(22)19-16(23)20-7-3-4-9(8-20)14(18)21/h1-2,5-6,9H,3-4,7-8H2,(H2,18,21)(H,19,22,23)