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

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(3-chloranyl-4-methyl-phenyl)adamantane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)adamantane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-adamantanecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)adamantane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)adamantane-1-carboxamide Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H26ClNO3S/c1-14-2-3-18(9-20(14)23)24(19-4-5-28(26,27)13-19)21(25)22-10-15-6-16(11-22)8-17(7-15)12-22/h2-5,9,15-17,19H,6-8,10-13H2,1H3