5-tert-butyl-6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-tert-butyl-6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-tert-butyl-6-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-tert-butyl-6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-tert-butyl-6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-tert-butyl-6-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-1,3-dihydrobenzimidazol-2-one Formula: C27H32N2O4S MolecularWeight: 480.61898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)NC(=O)N3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)NC(=O)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4S/c1-16(2)27(12-11-17-9-7-6-8-10-17)15-21(30)23(24(31)33-27)34-22-14-20-19(28-25(32)29-20)13-18(22)26(3,4)5/h6-10,13-14,16,31H,11-12,15H2,1-5H3,(H2,28,29,32)