N-(1-adamantylcarbamothioyl)-3-propoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-propoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-propoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-propoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-propoxy-benzamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

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