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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-11(2)18(25)22-15-8-7-14(10-17(15)29-4)21-20(30)23-19(26)13-6-5-12(3)16(9-13)24(27)28/h5-11H,1-4H3,(H,22,25)(H2,21,23,26,30)