N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H16N4O5S/c26-19(11-8-14-6-9-17(10-7-14)25(28)29)24-21(31)23-16-4-1-3-15(13-16)22-20(27)18-5-2-12-30-18/h1-13H,(H,22,27)(H2,23,24,26,31)/b11-8+