N-(2-adamantylcarbamothioyl)-3-butoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-butoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-butoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-butoxybenzamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

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