N-[4-(3-chloranyl-1-adamantyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[4-(3-chloranyl-1-adamantyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(3-chloro-1-adamantyl)thiazol-2-yl]benzamide CAS Name: N-[4-(3-chloro-1-adamantyl)-2-thiazolyl]benzamide IUPAC Name: N-[4-(3-chloro-1-adamantyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-(3-chloro-1-adamantyl)thiazol-2-yl]benzamide Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C4=CSC(=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C4=CSC(=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C20H21ClN2OS/c21-20-9-13-6-14(10-20)8-19(7-13,12-20)16-11-25-18(22-16)23-17(24)15-4-2-1-3-5-15/h1-5,11,13-14H,6-10,12H2,(H,22,23,24)