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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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