12,12-bis(oxidanylidene)-5-(phenylmethyl)-9-(quinolin-3-ylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one

Systemtic Name: 12,12-bis(oxidanylidene)-5-(phenylmethyl)-9-(quinolin-3-ylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one Openeye Name: 5-benzyl-12,12-dioxo-9-(3-quinolylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one CAS Name: 12,12-dioxo-5-(phenylmethyl)-9-(3-quinolinylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one IUPAC Name: 5-benzyl-12,12-dioxo-9-(quinolin-3-ylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one Traditional Name: 5-benzyl-12,12-diketo-9-(3-quinolylmethyl)-12$l^{6}-thia-9-azaspiro[5.6]dodecan-8-one Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC(=O)N(CCS2(=O)=O)CC3=CC4=CC=CC=C4N=C3)C(C1)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC(=O)N(CCS2(=O)=O)CC3=CC4=CC=CC=C4N=C3)C(C1)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3S/c30-26-18-27(13-7-6-11-24(27)17-21-8-2-1-3-9-21)33(31,32)15-14-29(26)20-22-16-23-10-4-5-12-25(23)28-19-22/h1-5,8-10,12,16,19,24H,6-7,11,13-15,17-18,20H2