N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: N-(4-butylphenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-3-methylol-piperidine-1-carbothioamide Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO

InChI

InChI=1S/C17H26N2OS/c1-2-3-5-14-7-9-16(10-8-14)18-17(21)19-11-4-6-15(12-19)13-20/h7-10,15,20H,2-6,11-13H2,1H3,(H,18,21)