[8-(4-hexylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone

Systemtic Name: [8-(4-hexylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Openeye Name: [8-(4-hexylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone CAS Name: [8-[(4-hexylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone IUPAC Name: [8-(4-hexylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone Traditional Name: [8-(4-hexylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O2S/c1-2-3-4-6-9-22-12-14-24(15-13-22)25(30)28-18-16-27(17-19-28)29(20-21-32-27)26(31)23-10-7-5-8-11-23/h5,7-8,10-15H,2-4,6,9,16-21H2,1H3