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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-[(3,4-dimethylphenoxy)methyl]benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-[(3,4-dimethylphenoxy)methyl]benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-[(3,4-dimethylphenoxy)methyl]benzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-[(3,4-dimethylphenoxy)methyl]benzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-[(3,4-dimethylphenoxy)methyl]benzamide Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C29H32N2O2S/c1-18-3-8-25(9-19(18)2)33-16-20-4-6-24(7-5-20)27(32)31-28-30-26(17-34-28)29-13-21-10-22(14-29)12-23(11-21)15-29/h3-9,17,21-23H,10-16H2,1-2H3,(H,30,31,32)