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

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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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=CC6=CC=CC=C6O5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C29H31N3O4S/c1-35-24-12-21(6-7-22(24)31-27(34)25-11-20-4-2-3-5-23(20)36-25)30-28(37)32-26(33)16-29-13-17-8-18(14-29)10-19(9-17)15-29/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H,31,34)(H2,30,32,33,37)