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

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-butoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-butoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-butoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-butoxy-benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-2-3-7-26-19-6-4-5-18(11-19)20(25)23-21(27)24-22-12-15-8-16(13-22)10-17(9-15)14-22/h4-6,11,15-17H,2-3,7-10,12-14H2,1H3,(H2,23,24,25,27)