2-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c25-20(18-11-4-5-12-19(18)24(26)27)23-21(29)22-16-9-6-10-17(13-16)28-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,23,25,29)