N-(1-adamantylcarbamothioyl)-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-chloro-5-iodo-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-chloro-5-iodo-benzamide Formula: C18H20ClIN2OS MolecularWeight: 474.78667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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