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

Systemtic Name: 4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c1-11(2)18(25)22-14-7-6-13(10-17(14)30-4)21-20(31)23-19(26)12-5-8-16(29-3)15(9-12)24(27)28/h5-11H,1-4H3,(H,22,25)(H2,21,23,26,31)