N-[2-methoxy-4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C25H20N4O6S MolecularWeight: 504.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C25H20N4O6S/c1-14-17(7-5-8-19(14)29(32)33)23(30)28-25(36)26-16-10-11-18(21(13-16)34-2)27-24(31)22-12-15-6-3-4-9-20(15)35-22/h3-13H,1-2H3,(H,27,31)(H2,26,28,30,36)