N-[(2S)-3-methyl-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(2-thienyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(2-thiophen-2-ylethylamino)butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(2-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(2-thienyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O2S/c1-14(2)19(20(25)23-6-5-18-4-3-7-27-18)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-4,7,14-17,19H,5-6,8-13H2,1-2H3,(H,23,25)(H,24,26)/t15?,16?,17?,19-,22?/m0/s1