3-nitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(4-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(4-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=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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