8-tert-butyl-3-methyl-1-[4-(pyridin-4-ylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one

Systemtic Name: 8-tert-butyl-3-methyl-1-[4-(pyridin-4-ylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one Openeye Name: 8-tert-butyl-3-methyl-1-[4-(4-pyridylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one CAS Name: 8-tert-butyl-3-methyl-1-[4-(pyridin-4-ylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one IUPAC Name: 8-tert-butyl-3-methyl-1-[4-(pyridin-4-ylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one Traditional Name: 8-tert-butyl-3-methyl-1-[4-(4-pyridylmethyl)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2(S1)CCC(CC2)C(C)(C)C)C3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1C(=O)N(C2(S1)CCC(CC2)C(C)(C)C)C3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H32N2OS/c1-18-23(28)27(25(29-18)13-9-21(10-14-25)24(2,3)4)22-7-5-19(6-8-22)17-20-11-15-26-16-12-20/h5-8,11-12,15-16,18,21H,9-10,13-14,17H2,1-4H3