2-(1-adamantyl)-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-iodo-2,5-dimethyl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-iodo-2,5-dimethylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-iodo-2,5-dimethyl-phenyl)thiocarbamoyl]acetamide Formula: C21H27IN2OS MolecularWeight: 482.42135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27IN2OS/c1-12-4-18(13(2)3-17(12)22)23-20(26)24-19(25)11-21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,14-16H,5-11H2,1-2H3,(H2,23,24,25,26)