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

Systemtic Name: phenyl 4-[[(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)carbamothioylamino]methylcarbamothioylamino]-2,2-dimethyl-butanoate Openeye Name: phenyl 4-[[(3,3-dimethyl-4-oxo-4-phenoxy-butyl)carbamothioylamino]methylcarbamothioylamino]-2,2-dimethyl-butanoate CAS Name: 4-[[[[[[(3,3-dimethyl-4-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]methylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 4-[[(3,3-dimethyl-4-oxo-4-phenoxybutyl)carbamothioylamino]methylcarbamothioylamino]-2,2-dimethylbutanoate Traditional Name: 4-[[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thiocarbamoylamino]methylthiocarbamoylamino]-2,2-dimethyl-butyric acid phenyl ester Formula: C27H36N4O4S2 MolecularWeight: 544.72914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4S2/c1-26(2,22(32)34-20-11-7-5-8-12-20)15-17-28-24(36)30-19-31-25(37)29-18-16-27(3,4)23(33)35-21-13-9-6-10-14-21/h5-14H,15-19H2,1-4H3,(H2,28,30,36)(H2,29,31,37)