N-(2-adamantylcarbamothioyl)-2-bromanyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-bromanyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-bromo-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-bromobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-bromo-benzamide Formula: C18H21BrN2OS MolecularWeight: 393.34114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C18H21BrN2OS/c19-15-4-2-1-3-14(15)17(22)21-18(23)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H2,20,21,22,23)