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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[1-(1-adamantyl)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[1-(1-adamantyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[1-(1-adamantyl)ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[1-(1-adamantyl)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[1-(1-adamantyl)ethyl]benzamide Formula: C31H42N2O2S MolecularWeight: 506.74238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4SCC(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4SCC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H42N2O2S/c1-19(30-12-20-6-21(13-30)8-22(7-20)14-30)32-29(35)26-4-2-3-5-27(26)36-18-28(34)33-31-15-23-9-24(16-31)11-25(10-23)17-31/h2-5,19-25H,6-18H2,1H3,(H,32,35)(H,33,34)