4-[3-(hydroxymethyl)piperidin-1-yl]carbonylbenzenecarbothioamide

Systemtic Name: 4-[3-(hydroxymethyl)piperidin-1-yl]carbonylbenzenecarbothioamide Openeye Name: 4-[3-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide CAS Name: 4-[[3-(hydroxymethyl)-1-piperidinyl]-oxomethyl]benzenecarbothioamide IUPAC Name: 4-[3-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide Traditional Name: 4-(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=C(C=C2)C(=S)N)CO

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c15-13(19)11-3-5-12(6-4-11)14(18)16-7-1-2-10(8-16)9-17/h3-6,10,17H,1-2,7-9H2,(H2,15,19)