2-chloranyl-N-[4-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-[4-[(3-fluorophenyl)thiocarbamoylamino]phenyl]phenyl]-5-nitro-benzamide Formula: C26H18ClFN4O3S MolecularWeight: 520.962523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=S)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=S)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H18ClFN4O3S/c27-24-13-12-22(32(34)35)15-23(24)25(33)29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)30-26(36)31-21-3-1-2-18(28)14-21/h1-15H,(H,29,33)(H2,30,31,36)