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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H18N4O5S/c27-20(10-9-15-4-1-7-18(12-15)26(29)30)25-22(32)24-17-6-2-5-16(13-17)21(28)23-14-19-8-3-11-31-19/h1-13H,14H2,(H,23,28)(H2,24,25,27,32)/b10-9+