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

Systemtic Name: 3-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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