N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methoxyphenyl]-2-furancarboxamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-4-methoxy-phenyl]-2-furamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O4S/c1-31-20-5-4-18(26-23(30)21-3-2-6-32-21)10-19(20)27-24(33)28-22(29)14-25-11-15-7-16(12-25)9-17(8-15)13-25/h2-6,10,15-17H,7-9,11-14H2,1H3,(H,26,30)(H2,27,28,29,33)