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

Systemtic Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[3-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[3-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c28-21(13-12-16-6-4-11-20(14-16)27(30)31)26-23(32)25-19-10-5-9-18(15-19)24-22(29)17-7-2-1-3-8-17/h1-15H,(H,24,29)(H2,25,26,28,32)/b13-12+