N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O4S/c22-18-12-16(25(27)28)8-11-19(18)23-21(30)24-20(26)15-6-9-17(10-7-15)29-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,24,26,30)