N-(4,4-dimethyl-3-oxidanyl-1-phenyl-pentyl)benzenecarbothioamide

Systemtic Name: N-(4,4-dimethyl-3-oxidanyl-1-phenyl-pentyl)benzenecarbothioamide Openeye Name: N-(3-hydroxy-4,4-dimethyl-1-phenyl-pentyl)benzenecarbothioamide CAS Name: N-(3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzenecarbothioamide IUPAC Name: N-(3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzenecarbothioamide Traditional Name: N-(3-hydroxy-4,4-dimethyl-1-phenyl-pentyl)thiobenzamide Formula: C20H25NOS MolecularWeight: 327.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C1=CC=CC=C1)NC(=S)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C(CC(C1=CC=CC=C1)NC(=S)C2=CC=CC=C2)O

InChI

InChI=1S/C20H25NOS/c1-20(2,3)18(22)14-17(15-10-6-4-7-11-15)21-19(23)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)