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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-4-5-9-19(26)23-16-11-10-14(12-18(16)30-3)22-21(31)24-20(27)15-7-6-8-17(13(15)2)25(28)29/h6-8,10-12H,4-5,9H2,1-3H3,(H,23,26)(H2,22,24,27,31)