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

Systemtic Name: 4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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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)OC)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6S/c1-4-5-6-19(26)23-15-9-8-14(12-18(15)31-3)22-21(32)24-20(27)13-7-10-17(30-2)16(11-13)25(28)29/h7-12H,4-6H2,1-3H3,(H,23,26)(H2,22,24,27,32)