N-[(Z,4S)-3-ethanoyl-6-methyl-2-oxidanyl-hept-2-en-4-yl]benzenecarbothioamide

Systemtic Name: N-[(Z,4S)-3-ethanoyl-6-methyl-2-oxidanyl-hept-2-en-4-yl]benzenecarbothioamide Openeye Name: N-[(Z,1S)-2-acetyl-3-hydroxy-1-isobutyl-but-2-enyl]benzenecarbothioamide CAS Name: N-[(Z,4S)-3-acetyl-2-hydroxy-6-methylhept-2-en-4-yl]benzenecarbothioamide IUPAC Name: N-[(Z,4S)-3-acetyl-2-hydroxy-6-methylhept-2-en-4-yl]benzenecarbothioamide Traditional Name: N-[(Z,1S)-2-acetyl-3-hydroxy-1-isobutyl-but-2-enyl]thiobenzamide Formula: C17H23NO2S MolecularWeight: 305.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](/C(=C(\C)/O)/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/h5-9,11,15,19H,10H2,1-4H3,(H,18,21)/b16-12+/t15-/m0/s1