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

Systemtic Name: N-(1-adamantyl)-1-(3-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(1-adamantyl)-1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(1-adamantyl)-1-[(3-methylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(1-adamantyl)-1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(1-adamantyl)-1-m-toluoyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C26H35N3O2S MolecularWeight: 453.64

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H35N3O2S/c1-18-3-2-4-22(11-18)23(30)29-9-10-32-26(29)5-7-28(8-6-26)24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h2-4,11,19-21H,5-10,12-17H2,1H3,(H,27,31)