(phenylmethyl) 5-[(4,4-dimethyl-5-oxidanylidene-5-phenylmethoxy-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate

Systemtic Name: (phenylmethyl) 5-[(4,4-dimethyl-5-oxidanylidene-5-phenylmethoxy-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate Openeye Name: benzyl 5-[(5-benzyloxy-4,4-dimethyl-5-oxo-pentyl)carbamothioylamino]-2,2-dimethyl-pentanoate CAS Name: 5-[[[(4,4-dimethyl-5-oxo-5-phenylmethoxypentyl)amino]-sulfanylidenemethyl]amino]-2,2-dimethylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4,4-dimethyl-5-oxo-5-phenylmethoxypentyl)carbamothioylamino]-2,2-dimethylpentanoate Traditional Name: 5-[(5-benzoxy-5-keto-4,4-dimethyl-pentyl)thiocarbamoylamino]-2,2-dimethyl-valeric acid benzyl ester Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=S)NCCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCNC(=S)NCCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

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