(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]propionamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC=C1)CN(C)[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S/c1-13-4-5-27-18(13)12-24(3)14(2)19(25)22-20(26)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,14-17H,6-12H2,1-3H3,(H2,22,23,25,26)/t14-,15?,16?,17?,21?/m1/s1