N-(2-adamantylcarbamothioyl)-3,4-bis(chloranyl)benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3,4-bis(chloranyl)benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3,4-dichloro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3,4-dichlorobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3,4-dichlorobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3,4-dichloro-benzamide Formula: C18H20Cl2N2OS MolecularWeight: 383.3352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N2OS/c19-14-2-1-11(8-15(14)20)17(23)22-18(24)21-16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7H2,(H2,21,22,23,24)