2-[2-(1-adamantylsulfanyl)ethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-(1-adamantylsulfanyl)ethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-ethyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[2-(1-adamantylthio)-1-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[2-(1-adamantylthio)acetyl]-ethyl-amino]-N-(2-thenyl)acetamide Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2S2/c1-2-23(13-19(24)22-12-18-4-3-5-26-18)20(25)14-27-21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,2,6-14H2,1H3,(H,22,24)