N-(3-ethanoyl-6-methyl-2-oxidanylidene-heptan-4-yl)benzenecarbothioamide

Systemtic Name: N-(3-ethanoyl-6-methyl-2-oxidanylidene-heptan-4-yl)benzenecarbothioamide Openeye Name: N-(2-acetyl-1-isobutyl-3-oxo-butyl)benzenecarbothioamide CAS Name: N-(3-acetyl-6-methyl-2-oxoheptan-4-yl)benzenecarbothioamide IUPAC Name: N-(3-acetyl-6-methyl-2-oxoheptan-4-yl)benzenecarbothioamide Traditional Name: N-(2-acetyl-1-isobutyl-3-keto-butyl)thiobenzamide Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2S/c1-11(2)10-15(16(12(3)19)13(4)20)18-17(21)14-8-6-5-7-9-14/h5-9,11,15-16H,10H2,1-4H3,(H,18,21)