N-(4-ethanoyl-2-methyl-5-oxidanylidene-hexan-3-yl)benzenecarbothioamide

Systemtic Name: N-(4-ethanoyl-2-methyl-5-oxidanylidene-hexan-3-yl)benzenecarbothioamide Openeye Name: N-(2-acetyl-1-isopropyl-3-oxo-butyl)benzenecarbothioamide CAS Name: N-(4-acetyl-2-methyl-5-oxohexan-3-yl)benzenecarbothioamide IUPAC Name: N-(4-acetyl-2-methyl-5-oxohexan-3-yl)benzenecarbothioamide Traditional Name: N-(2-acetyl-1-isopropyl-3-keto-butyl)thiobenzamide Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-10(2)15(14(11(3)18)12(4)19)17-16(20)13-8-6-5-7-9-13/h5-10,14-15H,1-4H3,(H,17,20)