N-(2-adamantylcarbamothioyl)-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-5-bromo-naphthalene-1-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-5-bromonaphthalene-1-carboxamide Traditional Name: N-(2-adamantylthiocarbamoyl)-5-bromo-1-naphthamide Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C22H23BrN2OS/c23-19-6-2-3-16-17(19)4-1-5-18(16)21(26)25-22(27)24-20-14-8-12-7-13(10-14)11-15(20)9-12/h1-6,12-15,20H,7-11H2,(H2,24,25,26,27)