N-[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbothioyl-9H-xanthene-9-carboxamide

Systemtic Name: N-[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbothioyl-9H-xanthene-9-carboxamide Openeye Name: N-[(2S)-2-(3-pyridyl)piperidine-1-carbothioyl]-9H-xanthene-9-carboxamide CAS Name: N-[[(2S)-2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(2S)-2-pyridin-3-ylpiperidine-1-carbothioyl]-9H-xanthene-9-carboxamide Traditional Name: N-[(2S)-2-(3-pyridyl)piperidine-1-carbothioyl]-9H-xanthene-9-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCN([C@@H](C1)C2=CN=CC=C2)C(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H23N3O2S/c29-24(23-18-9-1-3-12-21(18)30-22-13-4-2-10-19(22)23)27-25(31)28-15-6-5-11-20(28)17-8-7-14-26-16-17/h1-4,7-10,12-14,16,20,23H,5-6,11,15H2,(H,27,29,31)/t20-/m0/s1