4-ethoxy-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[2-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(2-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=CC=C2N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-2-29-19-11-10-15(14-18(19)25(27)28)20(26)23-21(30)22-16-8-4-5-9-17(16)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H2,22,23,26,30)