N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylthio]ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35N3O2S/c1-17(2)23(24(30)28-7-8-32-16-22-6-4-3-5-21(22)15-27)29-25(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h3-6,17-20,23H,7-14,16H2,1-2H3,(H,28,30)(H,29,31)/t18?,19?,20?,23-,26?/m0/s1