(3S)-3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-1-phenyl-hex-1-en-1-olate

Systemtic Name: (3S)-3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-1-phenyl-hex-1-en-1-olate Openeye Name: (3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-1-phenyl-hex-1-en-1-olate CAS Name: (3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-1-phenyl-1-hexen-1-olate IUPAC Name: (3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-1-phenylhex-1-en-1-olate Traditional Name: (3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-1-phenyl-hex-1-en-1-olate Formula: C22H24NO2S- MolecularWeight: 366.49646

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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)/p-1/t19-/m0/s1