2-chloranyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C20H21ClN4O5S/c1-3-4-5-18(26)23-16-9-6-12(10-17(16)30-2)22-20(31)24-19(27)14-8-7-13(25(28)29)11-15(14)21/h6-11H,3-5H2,1-2H3,(H,23,26)(H2,22,24,27,31)