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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-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/c1-3-4-8-18(25)22-16-10-9-14(12-17(16)29-2)21-20(30)23-19(26)13-6-5-7-15(11-13)24(27)28/h5-7,9-12H,3-4,8H2,1-2H3,(H,22,25)(H2,21,23,26,30)