N-(1-adamantylcarbamothioyl)-3-propan-2-yloxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-propan-2-yloxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-isopropoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-propan-2-yloxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-isopropoxy-benzamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-13(2)25-18-5-3-4-17(9-18)19(24)22-20(26)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H2,22,23,24,26)