N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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