N-(1-adamantylcarbamothioyl)-4-propan-2-yl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-propan-2-yl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-isopropyl-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-propan-2-ylbenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-isopropyl-benzamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-13(2)17-3-5-18(6-4-17)19(24)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3,(H2,22,23,24,25)