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

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-(2-methylpropoxy)benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-isobutoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-(2-methylpropoxy)benzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-isobutoxy-benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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