[8-(3-bromophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone

Systemtic Name: [8-(3-bromophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone Openeye Name: [8-(3-bromobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone CAS Name: [8-[(3-bromophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexylmethanone IUPAC Name: [8-(3-bromobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexylmethanone Traditional Name: [8-(3-bromobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCSC23CCN(CC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCSC23CCN(CC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H27BrN2O2S/c22-18-8-4-7-17(15-18)19(25)23-11-9-21(10-12-23)24(13-14-27-21)20(26)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2