N-[1-(1-adamantyl)ethylcarbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-benzyloxy-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-phenylmethoxybenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3-benzoxy-benzamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H32N2O2S/c1-18(27-14-20-10-21(15-27)12-22(11-20)16-27)28-26(32)29-25(30)23-8-5-9-24(13-23)31-17-19-6-3-2-4-7-19/h2-9,13,18,20-22H,10-12,14-17H2,1H3,(H2,28,29,30,32)