N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)adamantane-2-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)adamantane-2-carboxamide Openeye Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(p-tolyl)adamantane-2-carboxamide CAS Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-adamantanecarboxamide IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)adamantane-2-carboxamide Traditional Name: N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-N-(p-tolyl)adamantane-2-carboxamide Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27NO3S/c1-14-2-4-19(5-3-14)23(20-6-7-27(25,26)13-20)22(24)21-17-9-15-8-16(11-17)12-18(21)10-15/h2-7,15-18,20-21H,8-13H2,1H3