(5S,7R)-3-chloranyl-N-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[3-(methylthio)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-[3-(methylthio)anilino]ethyl]adamantane-1-carboxamide Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-26-16-4-2-3-15(6-16)23-17(24)11-22-18(25)19-7-13-5-14(8-19)10-20(21,9-13)12-19/h2-4,6,13-14H,5,7-12H2,1H3,(H,22,25)(H,23,24)/t13-,14+,19?,20?