2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C(=O)N

InChI

InChI=1S/C21H27BrN2O2S/c22-21-8-12-5-13(9-21)7-20(6-12,11-21)10-16(25)24-19-17(18(23)26)14-3-1-2-4-15(14)27-19/h12-13H,1-11H2,(H2,23,26)(H,24,25)