N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]benzamide

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]benzamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c30-23(16-26-13-17-9-18(14-26)11-19(10-17)15-26)29-25(32)28-22-8-4-7-21(12-22)27-24(31)20-5-2-1-3-6-20/h1-8,12,17-19H,9-11,13-16H2,(H,27,31)(H2,28,29,30,32)