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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(2-methylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(o-tolyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(2-methylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2-methylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(o-tolyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-16-4-2-3-5-19(16)24-21(28)25-12-10-22(11-13-25)26(14-15-29-22)20(27)17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3,(H,24,28)