N-[4-(1-adamantylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: N-[4-(1-adamantylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)ethanamide Openeye Name: N-[4-(1-adamantylsulfanylmethyl)thiazol-2-yl]-N-(m-tolyl)acetamide CAS Name: N-[4-[(1-adamantylthio)methyl]-2-thiazolyl]-N-(3-methylphenyl)acetamide IUPAC Name: N-[4-(1-adamantylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide Traditional Name: N-[4-[(1-adamantylthio)methyl]thiazol-2-yl]-N-(m-tolyl)acetamide Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)CSC34CC5CC(C3)CC(C5)C4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)CSC34CC5CC(C3)CC(C5)C4)C(=O)C

InChI

InChI=1S/C23H28N2OS2/c1-15-4-3-5-21(6-15)25(16(2)26)22-24-20(13-27-22)14-28-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,13,17-19H,7-12,14H2,1-2H3