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

Systemtic Name: 4-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-11(2)17(24)20-13-5-4-6-14(10-13)21-19(29)22-18(25)12-7-8-16(28-3)15(9-12)23(26)27/h4-11H,1-3H3,(H,20,24)(H2,21,22,25,29)