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

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H29N3O3S2/c1-31-20-10-18(4-5-19(20)27-23(30)21-3-2-6-33-21)26-24(32)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,27,30)(H2,26,28,29,32)