phenyl N'-[3-(4-bromanyl-3,5-dimethyl-phenyl)-1-oxidanylidene-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-N-cyano-carbamimidate

Systemtic Name: phenyl N'-[3-(4-bromanyl-3,5-dimethyl-phenyl)-1-oxidanylidene-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-N-cyano-carbamimidate Openeye Name: 3-[1-[(4-bromo-3,5-dimethyl-phenyl)methyl]-2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]-1-cyano-2-phenyl-isourea CAS Name: N'-[3-(4-bromo-3,5-dimethylphenyl)-1-oxo-1-[4-(1-piperidinyl)-1-piperidinyl]propan-2-yl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-[3-(4-bromo-3,5-dimethylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-N-cyanocarbamimidate Traditional Name: 3-[1-(4-bromo-3,5-dimethyl-benzyl)-2-keto-2-(4-piperidinopiperidino)ethyl]-1-cyano-2-phenyl-isourea Formula: C29H36BrN5O2 MolecularWeight: 566.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)CC(C(=O)N2CCC(CC2)N3CCCCC3)N=C(NC#N)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)CC(C(=O)N2CCC(CC2)N3CCCCC3)N=C(NC#N)OC4=CC=CC=C4

InChI

InChI=1S/C29H36BrN5O2/c1-21-17-23(18-22(2)27(21)30)19-26(33-29(32-20-31)37-25-9-5-3-6-10-25)28(36)35-15-11-24(12-16-35)34-13-7-4-8-14-34/h3,5-6,9-10,17-18,24,26H,4,7-8,11-16,19H2,1-2H3,(H,32,33)