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

Systemtic Name: 2-chloranyl-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-chloro-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-chloro-N-[3-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-chloro-N-[3-[[(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=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])Cl

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-])Cl

InChI

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