N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O5S/c1-29-20-13-17(25(27)28)10-11-19(20)23-22(31)24-21(26)16-8-5-9-18(12-16)30-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,23,24,26,31)