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

Systemtic Name: (3S)-3-(benzenecarbonothioylamino)-5-methyl-1-phenyl-2-(phenylcarbonyl)hex-1-en-1-olate Openeye Name: (3S)-3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-1-phenyl-hex-1-en-1-olate CAS Name: (3S)-3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-1-phenyl-1-hexen-1-olate IUPAC Name: (3S)-3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-1-phenylhex-1-en-1-olate Traditional Name: (3S)-3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-1-phenyl-hex-1-en-1-olate Formula: C27H26NO2S- MolecularWeight: 428.56584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C(C1=CC=CC=C1)[O-])C(=O)C2=CC=CC=C2)NC(=S)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=C(C1=CC=CC=C1)[O-])C(=O)C2=CC=CC=C2)NC(=S)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO2S/c1-19(2)18-23(28-27(31)22-16-10-5-11-17-22)24(25(29)20-12-6-3-7-13-20)26(30)21-14-8-4-9-15-21/h3-17,19,23,29H,18H2,1-2H3,(H,28,31)/p-1/t23-/m0/s1