N-[4-oxidanylidene-4-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]amino]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]amino]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[2-(3-thienylmethylsulfanyl)anilino]butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[2-(3-thiophenylmethylthio)anilino]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[2-(thiophen-3-ylmethylsulfanyl)anilino]butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[2-(3-thenylthio)anilino]butyl]adamantane-1-carboxamide Formula: C26H32N2O2S2 MolecularWeight: 468.67448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4SCC5=CSC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4SCC5=CSC=C5

InChI

InChI=1S/C26H32N2O2S2/c29-24(28-22-4-1-2-5-23(22)32-17-18-7-9-31-16-18)6-3-8-27-25(30)26-13-19-10-20(14-26)12-21(11-19)15-26/h1-2,4-5,7,9,16,19-21H,3,6,8,10-15,17H2,(H,27,30)(H,28,29)