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

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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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=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H27N3O2S2/c28-21(14-24-11-15-7-16(12-24)9-17(8-15)13-24)27-23(30)26-19-4-1-3-18(10-19)25-22(29)20-5-2-6-31-20/h1-6,10,15-17H,7-9,11-14H2,(H,25,29)(H2,26,27,28,30)