2-(4-acetamidophenyl)sulfanyl-N-(1-adamantyl)-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantyl)-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29N3O2S/c1-16(27)25-20-3-5-21(6-4-20)29-15-22(28)26(8-2-7-24)23-12-17-9-18(13-23)11-19(10-17)14-23/h3-6,17-19H,2,8-15H2,1H3,(H,25,27)