2-(4-acetamidophenyl)sulfanyl-N-(1-adamantylcarbamoyl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantylcarbamoyl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantylcarbamoyl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(1-adamantylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(1-adamantylcarbamoyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(1-adamantylcarbamoyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O3S/c1-13(25)22-17-2-4-18(5-3-17)28-12-19(26)23-20(27)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,25)(H2,23,24,26,27)