phenyl N-[5-[[4,5-di(propan-2-yl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptyl-carbamate

Systemtic Name: phenyl N-[5-[[4,5-di(propan-2-yl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptyl-carbamate Openeye Name: phenyl N-[5-[(4,5-diisopropyl-1H-imidazol-2-yl)sulfanyl]pentyl]-N-heptyl-carbamate CAS Name: N-[5-[[4,5-di(propan-2-yl)-1H-imidazol-2-yl]thio]pentyl]-N-heptylcarbamic acid phenyl ester IUPAC Name: phenyl N-[5-[[4,5-di(propan-2-yl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptylcarbamate Traditional Name: N-[5-[(4,5-diisopropyl-1H-imidazol-2-yl)thio]pentyl]-N-heptyl-carbamic acid phenyl ester Formula: C28H45N3O2S MolecularWeight: 487.7408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC(=C(N1)C(C)C)C(C)C)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC(=C(N1)C(C)C)C(C)C)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C28H45N3O2S/c1-6-7-8-9-14-19-31(28(32)33-24-17-12-10-13-18-24)20-15-11-16-21-34-27-29-25(22(2)3)26(30-27)23(4)5/h10,12-13,17-18,22-23H,6-9,11,14-16,19-21H2,1-5H3,(H,29,30)