N-(1-adamantylcarbamothioyl)-3-bromanyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-bromanyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-bromo-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-bromobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-bromo-benzamide Formula: C18H21BrN2OS MolecularWeight: 393.34114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

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