2-(1-adamantyl)-N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-bromo-3-methyl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-bromo-3-methylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]acetamide Formula: C20H25BrN2OS MolecularWeight: 421.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C20H25BrN2OS/c1-12-4-16(2-3-17(12)21)22-19(25)23-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H2,22,23,24,25)