N-(2-adamantylcarbamothioyl)-4-butoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-butoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-butoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-butoxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-4-butoxy-benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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