N-(2-adamantylcarbamothioyl)-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-chloranyl-4-methyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-chloro-4-methyl-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-chloro-4-methylbenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-chloro-4-methyl-benzamide Formula: C19H23ClN2OS MolecularWeight: 362.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Cl

InChI

InChI=1S/C19H23ClN2OS/c1-10-2-3-15(16(20)4-10)18(23)22-19(24)21-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17H,5-9H2,1H3,(H2,21,22,23,24)