N-(1-adamantylcarbamothioyl)-4-tert-butyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-tert-butyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-tert-butyl-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-tert-butylbenzamide Traditional Name: N-(1-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)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

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