1-(4-bromophenyl)carbonyl-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(3,5-dimethoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C23H26BrN3O4S/c1-30-19-13-18(14-20(15-19)31-2)25-22(29)26-9-7-23(8-10-26)27(11-12-32-23)21(28)16-3-5-17(24)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,25,29)