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

Systemtic Name: N-(3-bromophenyl)-1-(4-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(3-bromophenyl)-1-(4-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(3-bromophenyl)-1-[(4-methylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(3-bromophenyl)-1-(4-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(3-bromophenyl)-1-p-toluoyl-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=C(C=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC4=CC(=CC=C4)Br

InChI

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