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

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S/c18-16(23)13-3-1-2-4-14(13)19-17(26)20-15(22)10-7-11-5-8-12(9-6-11)21(24)25/h1-10H,(H2,18,23)(H2,19,20,22,26)/b10-7+