N-(2-adamantylcarbamothioyl)-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-chloro-3-nitro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-chloro-3-nitrobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-4-chloro-3-nitro-benzamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3S/c19-14-2-1-11(8-15(14)22(24)25)17(23)21-18(26)20-16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7H2,(H2,20,21,23,26)