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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H30N2O2S/c1-13(2)12-26-19-5-3-16(4-6-19)21(25)24-22(27)23-20-17-8-14-7-15(10-17)11-18(20)9-14/h3-6,13-15,17-18,20H,7-12H2,1-2H3,(H2,23,24,25,27)