N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chloro-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-chloro-2-thienyl)cinchoninamide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl

InChI

InChI=1S/C26H27ClN2OS/c1-15(26-12-16-8-17(13-26)10-18(9-16)14-26)28-25(30)20-11-22(23-6-7-24(27)31-23)29-21-5-3-2-4-19(20)21/h2-7,11,15-18H,8-10,12-14H2,1H3,(H,28,30)/t15-,16?,17?,18?,26?/m1/s1