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

Systemtic Name: 3-nitro-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c26-21(17-8-4-10-19(14-17)25(27)28)24-22(30)23-18-9-5-11-20(15-18)29-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H2,23,24,26,30)