8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one

Systemtic Name: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Openeye Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Traditional Name: 8-[4-(4-fluorophenyl)-4-keto-butyl]-2-[2-(4-isothiocyanatophenyl)ethyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Formula: C32H33FN4O2S MolecularWeight: 556.693423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC=C(C=C4)N=C=S)CCCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC=C(C=C4)N=C=S)CCCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H33FN4O2S/c33-27-12-10-26(11-13-27)30(38)7-4-19-35-21-17-32(18-22-35)31(39)36(24-37(32)29-5-2-1-3-6-29)20-16-25-8-14-28(15-9-25)34-23-40/h1-3,5-6,8-15H,4,7,16-22,24H2