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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-3-4-9-18(25)22-15-11-10-13(12-17(15)29-2)21-20(30)23-19(26)14-7-5-6-8-16(14)24(27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,25)(H2,21,23,26,30)