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

Systemtic Name: N-(3-bromophenyl)-1-(3-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(3-bromophenyl)-1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(3-bromophenyl)-1-[(3-methylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(3-bromophenyl)-1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(3-bromophenyl)-1-m-toluoyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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