4-ethoxy-3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(4-piperidinophenyl)thiocarbamoyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-2-29-19-11-6-15(14-18(19)25(27)28)20(26)23-21(30)22-16-7-9-17(10-8-16)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H2,22,23,26,30)