2-(1-adamantyl)-N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]acetamide Formula: C21H27BrN2OS MolecularWeight: 435.42088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C)Br

InChI

InChI=1S/C21H27BrN2OS/c1-12-3-17(22)4-13(2)19(12)24-20(26)23-18(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)