tert-butyl N-[2-phenylmethoxy-1-[1-(3-phenylpropyl)-5-sulfanyl-imidazol-2-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-phenylmethoxy-1-[1-(3-phenylpropyl)-5-sulfanyl-imidazol-2-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-benzyloxy-1-[1-(3-phenylpropyl)-5-sulfanyl-imidazol-2-yl]ethyl]carbamate CAS Name: N-[1-[5-mercapto-1-(3-phenylpropyl)-2-imidazolyl]-2-phenylmethoxyethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-phenylmethoxy-1-[1-(3-phenylpropyl)-5-sulfanylimidazol-2-yl]ethyl]carbamate Traditional Name: N-[2-benzoxy-1-[5-mercapto-1-(3-phenylpropyl)imidazol-2-yl]ethyl]carbamic acid tert-butyl ester Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C2=NC=C(N2CCCC3=CC=CC=C3)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C2=NC=C(N2CCCC3=CC=CC=C3)S

InChI

InChI=1S/C26H33N3O3S/c1-26(2,3)32-25(30)28-22(19-31-18-21-13-8-5-9-14-21)24-27-17-23(33)29(24)16-10-15-20-11-6-4-7-12-20/h4-9,11-14,17,22,33H,10,15-16,18-19H2,1-3H3,(H,28,30)