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

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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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)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H14ClN3O4S/c21-14-4-8-17(9-5-14)28-18-10-6-15(7-11-18)22-20(29)23-19(25)13-2-1-3-16(12-13)24(26)27/h1-12H,(H2,22,23,25,29)