2-(2-azanyl-3-oxidanyl-propyl)-N-octyl-benzenecarbothioamide

Systemtic Name: 2-(2-azanyl-3-oxidanyl-propyl)-N-octyl-benzenecarbothioamide Openeye Name: 2-(2-amino-3-hydroxy-propyl)-N-octyl-benzenecarbothioamide CAS Name: 2-(2-amino-3-hydroxypropyl)-N-octylbenzenecarbothioamide IUPAC Name: 2-(2-amino-3-hydroxypropyl)-N-octylbenzenecarbothioamide Traditional Name: 2-(2-amino-3-hydroxy-propyl)-N-octyl-thiobenzamide Formula: C18H30N2OS MolecularWeight: 322.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)C1=CC=CC=C1CC(CO)N

Isomeric SMILES

CCCCCCCCNC(=S)C1=CC=CC=C1CC(CO)N

InChI

InChI=1S/C18H30N2OS/c1-2-3-4-5-6-9-12-20-18(22)17-11-8-7-10-15(17)13-16(19)14-21/h7-8,10-11,16,21H,2-6,9,12-14,19H2,1H3,(H,20,22)