ethyl 3-(benzenecarbonothioylamino)-5-methyl-2-(phenylcarbonyl)hexanoate

Systemtic Name: ethyl 3-(benzenecarbonothioylamino)-5-methyl-2-(phenylcarbonyl)hexanoate Openeye Name: ethyl 3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-hexanoate CAS Name: 3-(benzenecarbonothioylamino)-2-benzoyl-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenecarbonothioylamino)-2-benzoyl-5-methylhexanoate Traditional Name: 3-(benzenecarbonothioylamino)-2-benzoyl-5-methyl-hexanoic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-4-27-23(26)20(21(25)17-11-7-5-8-12-17)19(15-16(2)3)24-22(28)18-13-9-6-10-14-18/h5-14,16,19-20H,4,15H2,1-3H3,(H,24,28)