N-[(E,3S)-4-ethanoyl-2-methyl-5-oxidanyl-hex-4-en-3-yl]benzenecarbothioamide

Systemtic Name: N-[(E,3S)-4-ethanoyl-2-methyl-5-oxidanyl-hex-4-en-3-yl]benzenecarbothioamide Openeye Name: N-[(E,1S)-2-acetyl-3-hydroxy-1-isopropyl-but-2-enyl]benzenecarbothioamide CAS Name: N-[(E,3S)-4-acetyl-5-hydroxy-2-methylhex-4-en-3-yl]benzenecarbothioamide IUPAC Name: N-[(E,3S)-4-acetyl-5-hydroxy-2-methylhex-4-en-3-yl]benzenecarbothioamide Traditional Name: N-[(E,1S)-2-acetyl-3-hydroxy-1-isopropyl-but-2-enyl]thiobenzamide Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](/C(=C(/C)\O)/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/h5-10,15,18H,1-4H3,(H,17,20)/b14-11-/t15-/m0/s1