N-[6-methyl-2-oxidanylidene-3-(phenylcarbonyl)heptan-4-yl]benzenecarbothioamide

Systemtic Name: N-[6-methyl-2-oxidanylidene-3-(phenylcarbonyl)heptan-4-yl]benzenecarbothioamide Openeye Name: N-(2-benzoyl-1-isobutyl-3-oxo-butyl)benzenecarbothioamide CAS Name: N-(3-benzoyl-6-methyl-2-oxoheptan-4-yl)benzenecarbothioamide IUPAC Name: N-(3-benzoyl-6-methyl-2-oxoheptan-4-yl)benzenecarbothioamide Traditional Name: N-(2-benzoyl-1-isobutyl-3-keto-butyl)thiobenzamide Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2S/c1-15(2)14-19(23-22(26)18-12-8-5-9-13-18)20(16(3)24)21(25)17-10-6-4-7-11-17/h4-13,15,19-20H,14H2,1-3H3,(H,23,26)