4-nitro-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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