phenyl 6-[(5,5-dimethyl-6-oxidanylidene-6-phenoxy-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate

Systemtic Name: phenyl 6-[(5,5-dimethyl-6-oxidanylidene-6-phenoxy-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate Openeye Name: phenyl 6-[(5,5-dimethyl-6-oxo-6-phenoxy-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate CAS Name: 6-[[[(5,5-dimethyl-6-oxo-6-phenoxyhexyl)amino]-sulfanylidenemethyl]amino]-2,2-dimethylhexanoic acid phenyl ester IUPAC Name: phenyl 6-[(5,5-dimethyl-6-oxo-6-phenoxyhexyl)carbamothioylamino]-2,2-dimethylhexanoate Traditional Name: 6-[(6-keto-5,5-dimethyl-6-phenoxy-hexyl)thiocarbamoylamino]-2,2-dimethyl-hexanoic acid phenyl ester Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCNC(=S)NCCCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCCNC(=S)NCCCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C29H40N2O4S/c1-28(2,25(32)34-23-15-7-5-8-16-23)19-11-13-21-30-27(36)31-22-14-12-20-29(3,4)26(33)35-24-17-9-6-10-18-24/h5-10,15-18H,11-14,19-22H2,1-4H3,(H2,30,31,36)