N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[[2-(4-methylphenoxy)acetyl]amino]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-13-5-7-16(8-6-13)30-12-19(26)23-24-21(32)22-20(27)18-10-9-17(31-18)14-3-2-4-15(11-14)25(28)29/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,27,32)