N-(6,6-dimethyl-5-oxidanylidene-1-phenyl-heptan-3-yl)benzenecarbothioamide

Systemtic Name: N-(6,6-dimethyl-5-oxidanylidene-1-phenyl-heptan-3-yl)benzenecarbothioamide Openeye Name: N-(4,4-dimethyl-3-oxo-1-phenethyl-pentyl)benzenecarbothioamide CAS Name: N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)benzenecarbothioamide IUPAC Name: N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)benzenecarbothioamide Traditional Name: N-(3-keto-4,4-dimethyl-1-phenethyl-pentyl)thiobenzamide Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CCC1=CC=CC=C1)NC(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CC(CCC1=CC=CC=C1)NC(=S)C2=CC=CC=C2

InChI

InChI=1S/C22H27NOS/c1-22(2,3)20(24)16-19(15-14-17-10-6-4-7-11-17)23-21(25)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,23,25)