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

Systemtic Name: N-[4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C26H22N4O7S MolecularWeight: 534.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O7S/c1-3-36-21-11-8-16(12-19(21)30(33)34)24(31)29-26(38)27-17-9-10-18(22(14-17)35-2)28-25(32)23-13-15-6-4-5-7-20(15)37-23/h4-14H,3H2,1-2H3,(H,28,32)(H2,27,29,31,38)