N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-13(2)11-12-29-15-9-7-14(8-10-15)18(25)22-23-20(30)21-19(26)16-5-3-4-6-17(16)24(27)28/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H2,21,23,26,30)