N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H29N3O2S/c24-13-19-3-1-2-4-20(19)15-29-6-5-25-21(27)14-26-22(28)23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,16-18H,5-12,14-15H2,(H,25,27)(H,26,28)