pentyl 4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-phenyl-benzoate

Systemtic Name: pentyl 4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-phenyl-benzoate Openeye Name: pentyl 4-(benzofuran-2-carbonylcarbamothioylamino)-2-phenyl-benzoate CAS Name: 4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-phenylbenzoic acid pentyl ester IUPAC Name: pentyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)-2-phenylbenzoate Traditional Name: 4-(benzofuran-2-carbonylthiocarbamoylamino)-2-phenyl-benzoic acid amyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4S/c1-2-3-9-16-33-27(32)22-15-14-21(18-23(22)19-10-5-4-6-11-19)29-28(35)30-26(31)25-17-20-12-7-8-13-24(20)34-25/h4-8,10-15,17-18H,2-3,9,16H2,1H3,(H2,29,30,31,35)