N-(2-adamantylcarbamothioyl)-4-tert-butyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-tert-butyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-tert-butyl-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-tert-butylbenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-4-tert-butyl-benzamide Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-22(2,3)18-6-4-15(5-7-18)20(25)24-21(26)23-19-16-9-13-8-14(11-16)12-17(19)10-13/h4-7,13-14,16-17,19H,8-12H2,1-3H3,(H2,23,24,25,26)