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

Systemtic Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzoate Formula: C17H12N3O5S- MolecularWeight: 370.35928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c21-15(9-8-11-4-3-5-12(10-11)20(24)25)19-17(26)18-14-7-2-1-6-13(14)16(22)23/h1-10H,(H,22,23)(H2,18,19,21,26)/p-1/b9-8+