4-(4-chloranylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-(4-chlorophenoxy)-N-[(4-fluorophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-(4-chlorophenoxy)-N-[(4-fluoroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(4-fluorophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-(4-chlorophenoxy)-N-[(4-fluorophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H13ClFN3O4S MolecularWeight: 445.851323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C20H13ClFN3O4S/c21-13-2-8-16(9-3-13)29-18-10-1-12(11-17(18)25(27)28)19(26)24-20(30)23-15-6-4-14(22)5-7-15/h1-11H,(H2,23,24,26,30)