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

Systemtic Name: 3-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-3-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(16-8-4-10-18(12-16)24(26)27)23-21(29)22-17-9-5-11-19(13-17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,22,23,25,29)