N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O7S/c1-10-4-5-16(6-11(10)2)31-12(3)17(25)21-22-19(32)20-18(26)13-7-14(23(27)28)9-15(8-13)24(29)30/h4-9,12H,1-3H3,(H,21,25)(H2,20,22,26,32)