4-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c27-22(18-11-13-20(14-12-18)26(28)29)25-23(31)24-19-9-4-10-21(16-19)30-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H2,24,25,27,31)