N-(furan-2-ylmethyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-4-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-4-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S/c27-20(12-5-15-3-10-18(11-4-15)26(29)30)25-22(32)24-17-8-6-16(7-9-17)21(28)23-14-19-2-1-13-31-19/h1-13H,14H2,(H,23,28)(H2,24,25,27,32)/b12-5+