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

Systemtic Name: 3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-11(2)17(24)20-14-5-4-6-15(10-14)21-19(28)22-18(25)13-7-8-16(23(26)27)12(3)9-13/h4-11H,1-3H3,(H,20,24)(H2,21,22,25,28)