N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-2-3-4-5-13-30-18-11-9-15(10-12-18)20(27)23-24-21(31)22-19(26)16-7-6-8-17(14-16)25(28)29/h6-12,14H,2-5,13H2,1H3,(H,23,27)(H2,22,24,26,31)