1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 4-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butan-1-one CAS Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 4-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butan-1-one Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCCC(=O)N2CCC3(CC2)OCCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=C(N=C1SCCCC(=O)N2CCC3(CC2)OCCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3S/c1-2-17-32-27(24-12-7-4-8-13-24)26(23-10-5-3-6-11-23)30-28(32)36-22-9-14-25(33)31-18-15-29(16-19-31)34-20-21-35-29/h2-8,10-13H,1,9,14-22H2