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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2,3-dimethylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(4-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=C(C=C4)Br)C

Isomeric SMILES

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

InChI

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