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

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(4-chloro-3-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=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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