N-[4-methyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[(3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[(3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-[(3-nitrobenzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c1-12-7-8-14(21-19(26)17-6-3-9-29-17)11-16(12)22-20(30)23-18(25)13-4-2-5-15(10-13)24(27)28/h2-11H,1H3,(H,21,26)(H2,22,23,25,30)