(2R)-N-(1-adamantyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[methyl-[[4-(methylthio)phenyl]methyl]amino]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[methyl-[4-(methylthio)benzyl]amino]propionamide Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC=C(C=C4)SC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H32N2OS/c1-15(24(2)14-16-4-6-20(26-3)7-5-16)21(25)23-22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,8-14H2,1-3H3,(H,23,25)/t15-,17?,18?,19?,22?/m1/s1