2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylbutyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylbutyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-isopentyl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3-methylbutyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-isoamyl-benzamide Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N2O2S/c1-16(2)7-8-25-23(28)20-5-3-4-6-21(20)29-15-22(27)26-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3,(H,25,28)(H,26,27)