N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-11(2)7-17(25)20-13-3-5-14(6-4-13)21-19(31)22-18(26)12-8-15(23(27)28)10-16(9-12)24(29)30/h3-6,8-11H,7H2,1-2H3,(H,20,25)(H2,21,22,26,31)