N-(1-adamantylcarbamothioyl)-4-iodanyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-iodanyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-iodo-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-iodobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-iodobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-iodo-benzamide Formula: C18H21IN2OS MolecularWeight: 440.34161

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C18H21IN2OS/c19-15-3-1-14(2-4-15)16(22)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)