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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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