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

Systemtic Name: 3-chloranyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O4S/c24-17-5-2-4-16(14-17)22(30)25-18-8-10-19(11-9-18)26-23(33)27-21(29)12-7-15-3-1-6-20(13-15)28(31)32/h1-14H,(H,25,30)(H2,26,27,29,33)/b12-7+