N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-nitro-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5S/c1-3-4-11-28-17-10-5-14(12-18(17)27-2)13-21-20(29)22-19(24)15-6-8-16(9-7-15)23(25)26/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,22,24,29)