N-[(4S)-6-methyl-2-oxidanylidene-3-[oxidanyl(phenyl)methylidene]heptan-4-yl]benzenecarbothioamide

Systemtic Name: N-[(4S)-6-methyl-2-oxidanylidene-3-[oxidanyl(phenyl)methylidene]heptan-4-yl]benzenecarbothioamide Openeye Name: N-[(1S)-2-[hydroxy(phenyl)methylene]-1-isobutyl-3-oxo-butyl]benzenecarbothioamide CAS Name: N-[(4S)-3-[hydroxy(phenyl)methylidene]-6-methyl-2-oxoheptan-4-yl]benzenecarbothioamide IUPAC Name: N-[(4S)-3-[hydroxy(phenyl)methylidene]-6-methyl-2-oxoheptan-4-yl]benzenecarbothioamide Traditional Name: N-[(1S)-2-acetyl-3-hydroxy-1-isobutyl-3-phenyl-allyl]thiobenzamide Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=C(C1=CC=CC=C1)O)C(=O)C)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/h4-13,15,19,25H,14H2,1-3H3,(H,23,26)/t19-/m0/s1