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

Systemtic Name: methyl 6-[(6-methoxy-5-methyl-6-oxidanylidene-5-phenyl-hexyl)carbamothioylamino]-2-methyl-2-phenyl-hexanoate Openeye Name: methyl 6-[(6-methoxy-5-methyl-6-oxo-5-phenyl-hexyl)carbamothioylamino]-2-methyl-2-phenyl-hexanoate CAS Name: 6-[[[(6-methoxy-5-methyl-6-oxo-5-phenylhexyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylhexanoic acid methyl ester IUPAC Name: methyl 6-[(6-methoxy-5-methyl-6-oxo-5-phenylhexyl)carbamothioylamino]-2-methyl-2-phenylhexanoate Traditional Name: 6-[(6-keto-6-methoxy-5-methyl-5-phenyl-hexyl)thiocarbamoylamino]-2-methyl-2-phenyl-hexanoic acid methyl ester Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)OC)(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)OC)(C2=CC=CC=C2)C(=O)OC

InChI

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