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

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

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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(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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