N-[(2S)-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(4-methylsulfanylanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[4-(methylthio)anilino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-methylsulfanylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(methylthio)anilino]ethyl]adamantane-1-carboxamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-13(19(24)23-17-3-5-18(26-2)6-4-17)22-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3,(H,22,25)(H,23,24)/t13-,14?,15?,16?,21?/m0/s1