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

Systemtic Name: phenyl 2-methyl-6-[(5-methyl-6-oxidanylidene-6-phenoxy-5-phenyl-hexyl)carbamothioylamino]-2-phenyl-hexanoate Openeye Name: phenyl 2-methyl-6-[(5-methyl-6-oxo-6-phenoxy-5-phenyl-hexyl)carbamothioylamino]-2-phenyl-hexanoate CAS Name: 2-methyl-6-[[[(5-methyl-6-oxo-6-phenoxy-5-phenylhexyl)amino]-sulfanylidenemethyl]amino]-2-phenylhexanoic acid phenyl ester IUPAC Name: phenyl 2-methyl-6-[(5-methyl-6-oxo-6-phenoxy-5-phenylhexyl)carbamothioylamino]-2-phenylhexanoate Traditional Name: 6-[(6-keto-5-methyl-6-phenoxy-5-phenyl-hexyl)thiocarbamoylamino]-2-methyl-2-phenyl-hexanoic acid phenyl ester Formula: C39H44N2O4S MolecularWeight: 636.84266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C39H44N2O4S/c1-38(31-19-7-3-8-20-31,35(42)44-33-23-11-5-12-24-33)27-15-17-29-40-37(46)41-30-18-16-28-39(2,32-21-9-4-10-22-32)36(43)45-34-25-13-6-14-26-34/h3-14,19-26H,15-18,27-30H2,1-2H3,(H2,40,41,46)