S-[2-[4-[3-(aminocarbonylamino)-3-phenyl-propanoyl]piperazin-2-yl]ethyl] 2,2-dimethyl-5-phenyl-pentanethioate

Systemtic Name: S-[2-[4-[3-(aminocarbonylamino)-3-phenyl-propanoyl]piperazin-2-yl]ethyl] 2,2-dimethyl-5-phenyl-pentanethioate Openeye Name: S-[2-[4-(3-phenyl-3-ureido-propanoyl)piperazin-2-yl]ethyl] 2,2-dimethyl-5-phenyl-pentanethioate CAS Name: 2,2-dimethyl-5-phenylpentanethioic acid S-[2-[4-[3-(carbamoylamino)-1-oxo-3-phenylpropyl]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-[3-(carbamoylamino)-3-phenylpropanoyl]piperazin-2-yl]ethyl] 2,2-dimethyl-5-phenylpentanethioate Traditional Name: 2,2-dimethyl-5-phenyl-pentanethioic acid S-[2-[4-(3-phenyl-3-ureido-propanoyl)piperazin-2-yl]ethyl] ester Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC=CC=C1)C(=O)SCCC2CN(CCN2)C(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC(C)(CCCC1=CC=CC=C1)C(=O)SCCC2CN(CCN2)C(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C29H40N4O3S/c1-29(2,16-9-12-22-10-5-3-6-11-22)27(35)37-19-15-24-21-33(18-17-31-24)26(34)20-25(32-28(30)36)23-13-7-4-8-14-23/h3-8,10-11,13-14,24-25,31H,9,12,15-21H2,1-2H3,(H3,30,32,36)