N-[[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[(E)-3-(4-fluorophenyl)acryloyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16FN3O4S/c24-18-9-4-15(5-10-18)6-13-21(28)16-7-11-19(12-8-16)25-23(32)26-22(29)17-2-1-3-20(14-17)27(30)31/h1-14H,(H2,25,26,29,32)/b13-6+