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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-methyl-4-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=CC(=C(C=C2)[N+](=O)[O-])C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-4-5-6-19(26)23-16-9-8-15(12-18(16)30-3)22-21(31)24-20(27)14-7-10-17(25(28)29)13(2)11-14/h7-12H,4-6H2,1-3H3,(H,23,26)(H2,22,24,27,31)