N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-phenyl-ethanamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-phenyl-ethanamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-phenyl-acetamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-phenylacetamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-phenylacetamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-2-phenyl-acetamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O2S/c31-24(13-18-4-2-1-3-5-18)28-22-6-8-23(9-7-22)29-26(33)30-25(32)17-27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,19-21H,10-17H2,(H,28,31)(H2,29,30,32,33)