3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[2-[(2-cyanobenzyl)thio]ethyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H29N3O2S/c1-16(27)26-23-11-17-8-18(12-23)10-22(9-17,15-23)21(28)25-6-7-29-14-20-5-3-2-4-19(20)13-24/h2-5,17-18H,6-12,14-15H2,1H3,(H,25,28)(H,26,27)