N-(2-adamantylcarbamothioyl)-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-chloro-5-iodo-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-chloro-5-iodo-benzamide Formula: C18H20ClIN2OS MolecularWeight: 474.78667

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C18H20ClIN2OS/c19-15-2-1-13(20)8-14(15)17(23)22-18(24)21-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H2,21,22,23,24)