N-(1-adamantyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-(1-adamantyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-(1-adamantyl)-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-(1-adamantyl)-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-(1-adamantyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: N-(1-adamantyl)-4,7-diketo-7-(5-methyl-2-thienyl)enanthamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-14-2-6-20(27-14)19(25)5-3-18(24)4-7-21(26)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h2,6,15-17H,3-5,7-13H2,1H3,(H,23,26)