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

Systemtic Name: phenyl 4-[3-[(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoate Openeye Name: phenyl 4-[3-[(3,3-dimethyl-4-oxo-4-phenoxy-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoate CAS Name: 4-[[[3-[[[(3,3-dimethyl-4-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 4-[3-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethylbutanoate Traditional Name: 4-[3-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thiocarbamoylamino]propylthiocarbamoylamino]-2,2-dimethyl-butyric acid phenyl ester Formula: C29H40N4O4S2 MolecularWeight: 572.7823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4S2/c1-28(2,24(34)36-22-12-7-5-8-13-22)16-20-32-26(38)30-18-11-19-31-27(39)33-21-17-29(3,4)25(35)37-23-14-9-6-10-15-23/h5-10,12-15H,11,16-21H2,1-4H3,(H2,30,32,38)(H2,31,33,39)