phenyl 5-[(4,4-dimethyl-5-oxidanylidene-5-phenoxy-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate

Systemtic Name: phenyl 5-[(4,4-dimethyl-5-oxidanylidene-5-phenoxy-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate Openeye Name: phenyl 5-[(4,4-dimethyl-5-oxo-5-phenoxy-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate CAS Name: 5-[[[(4,4-dimethyl-5-oxo-5-phenoxypentyl)amino]-sulfanylidenemethyl]amino]-2,2-dimethylpentanoic acid phenyl ester IUPAC Name: phenyl 5-[(4,4-dimethyl-5-oxo-5-phenoxypentyl)carbamothioylamino]-2,2-dimethylpentanoate Traditional Name: 5-[(5-keto-4,4-dimethyl-5-phenoxy-pentyl)thiocarbamoylamino]-2,2-dimethyl-valeric acid phenyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=S)NCCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCNC(=S)NCCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4S/c1-26(2,23(30)32-21-13-7-5-8-14-21)17-11-19-28-25(34)29-20-12-18-27(3,4)24(31)33-22-15-9-6-10-16-22/h5-10,13-16H,11-12,17-20H2,1-4H3,(H2,28,29,34)