4-(3-methylbutoxy)-N-(3-piperidin-1-ylpropyl)benzenecarbothioamide

Systemtic Name: 4-(3-methylbutoxy)-N-(3-piperidin-1-ylpropyl)benzenecarbothioamide Openeye Name: 4-isopentyloxy-N-[3-(1-piperidyl)propyl]benzenecarbothioamide CAS Name: 4-(3-methylbutoxy)-N-[3-(1-piperidinyl)propyl]benzenecarbothioamide IUPAC Name: 4-(3-methylbutoxy)-N-(3-piperidin-1-ylpropyl)benzenecarbothioamide Traditional Name: 4-isoamoxy-N-(3-piperidinopropyl)thiobenzamide Formula: C20H32N2OS MolecularWeight: 348.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=S)NCCCN2CCCCC2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=S)NCCCN2CCCCC2

InChI

InChI=1S/C20H32N2OS/c1-17(2)11-16-23-19-9-7-18(8-10-19)20(24)21-12-6-15-22-13-4-3-5-14-22/h7-10,17H,3-6,11-16H2,1-2H3,(H,21,24)