N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dichlorophenyl)-5-propyl-thiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dichlorophenyl)-5-propyl-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dichlorophenyl)-5-propyl-thiazol-2-yl]adamantane-1-carboxamide Formula: C23H26Cl2N2OS MolecularWeight: 449.43634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H26Cl2N2OS/c1-2-3-19-20(16-4-5-17(24)18(25)9-16)26-22(29-19)27-21(28)23-10-13-6-14(11-23)8-15(7-13)12-23/h4-5,9,13-15H,2-3,6-8,10-12H2,1H3,(H,26,27,28)