1-(3-bromophenyl)carbonyl-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: 1-(3-bromophenyl)carbonyl-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-bromobenzoyl)-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(3-bromophenyl)-oxomethyl]-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-bromobenzoyl)-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(3-bromobenzoyl)-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C23H26BrN3O2S/c1-16-5-3-8-20(17(16)2)25-22(29)26-11-9-23(10-12-26)27(13-14-30-23)21(28)18-6-4-7-19(24)15-18/h3-8,15H,9-14H2,1-2H3,(H,25,29)