N-(1-adamantylcarbamoyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[methyl-[[4-(methylthio)phenyl]methyl]amino]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[methyl-[4-(methylthio)benzyl]amino]acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O2S/c1-25(13-15-3-5-19(28-2)6-4-15)14-20(26)23-21(27)24-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3,(H2,23,24,26,27)