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

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CO5

InChI

InChI=1S/C25H29N3O3S/c1-15-7-19(4-5-20(15)27-23(30)21-3-2-6-31-21)26-24(32)28-22(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-14H2,1H3,(H,27,30)(H2,26,28,29,32)