N-(furan-2-ylmethyl)-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-3-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5S/c25-18(21-12-17-8-3-9-29-17)13-4-1-6-15(10-13)22-20(30)23-19(26)14-5-2-7-16(11-14)24(27)28/h1-11H,12H2,(H,21,25)(H2,22,23,26,30)