3-[2-(1-adamantylsulfanyl)ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-(1-adamantylsulfanyl)ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-(1-adamantylthio)-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-(1-adamantylthio)acetyl]amino]-N-ethyl-benzamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-2-22-20(25)17-4-3-5-18(9-17)23-19(24)13-26-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,14-16H,2,6-8,10-13H2,1H3,(H,22,25)(H,23,24)