(phenylmethyl) 6-[(5,5-dimethyl-6-oxidanylidene-6-phenylmethoxy-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate

Systemtic Name: (phenylmethyl) 6-[(5,5-dimethyl-6-oxidanylidene-6-phenylmethoxy-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate Openeye Name: benzyl 6-[(6-benzyloxy-5,5-dimethyl-6-oxo-hexyl)carbamothioylamino]-2,2-dimethyl-hexanoate CAS Name: 6-[[[(5,5-dimethyl-6-oxo-6-phenylmethoxyhexyl)amino]-sulfanylidenemethyl]amino]-2,2-dimethylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(5,5-dimethyl-6-oxo-6-phenylmethoxyhexyl)carbamothioylamino]-2,2-dimethylhexanoate Traditional Name: 6-[(6-benzoxy-6-keto-5,5-dimethyl-hexyl)thiocarbamoylamino]-2,2-dimethyl-hexanoic acid benzyl ester Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCNC(=S)NCCCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCCNC(=S)NCCCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H44N2O4S/c1-30(2,27(34)36-23-25-15-7-5-8-16-25)19-11-13-21-32-29(38)33-22-14-12-20-31(3,4)28(35)37-24-26-17-9-6-10-18-26/h5-10,15-18H,11-14,19-24H2,1-4H3,(H2,32,33,38)