N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-12(2)10-17(24)20-14-6-8-15(9-7-14)21-19(28)22-18(25)13-4-3-5-16(11-13)23(26)27/h3-9,11-12H,10H2,1-2H3,(H,20,24)(H2,21,22,25,28)