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

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-13-2-3-14(12-19(13)25(27)28)20(26)24-21(30)23-16-6-10-18(11-7-16)29-17-8-4-15(22)5-9-17/h2-12H,1H3,(H2,23,24,26,30)