3-[3-(hydroxymethyl)piperidin-1-yl]carbonylbenzenecarbothioamide

Systemtic Name: 3-[3-(hydroxymethyl)piperidin-1-yl]carbonylbenzenecarbothioamide Openeye Name: 3-[3-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]-oxomethyl]benzenecarbothioamide IUPAC Name: 3-[3-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide Traditional Name: 3-(3-methylolpiperidine-1-carbonyl)thiobenzamide Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)C(=S)N)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)C(=S)N)CO

InChI

InChI=1S/C14H18N2O2S/c15-13(19)11-4-1-5-12(7-11)14(18)16-6-2-3-10(8-16)9-17/h1,4-5,7,10,17H,2-3,6,8-9H2,(H2,15,19)