phenyl 4-[2-[(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)carbamothioylamino]ethylcarbamothioylamino]-2,2-dimethyl-butanoate

Systemtic Name: phenyl 4-[2-[(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)carbamothioylamino]ethylcarbamothioylamino]-2,2-dimethyl-butanoate Openeye Name: phenyl 4-[2-[(3,3-dimethyl-4-oxo-4-phenoxy-butyl)carbamothioylamino]ethylcarbamothioylamino]-2,2-dimethyl-butanoate CAS Name: 4-[[[2-[[[(3,3-dimethyl-4-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 4-[2-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)carbamothioylamino]ethylcarbamothioylamino]-2,2-dimethylbutanoate Traditional Name: 4-[2-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thiocarbamoylamino]ethylthiocarbamoylamino]-2,2-dimethyl-butyric acid phenyl ester Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=S)NCCNC(=S)NCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCNC(=S)NCCNC(=S)NCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C28H38N4O4S2/c1-27(2,23(33)35-21-11-7-5-8-12-21)15-17-29-25(37)31-19-20-32-26(38)30-18-16-28(3,4)24(34)36-22-13-9-6-10-14-22/h5-14H,15-20H2,1-4H3,(H2,29,31,37)(H2,30,32,38)