N-[[(2-butoxyphenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[(2-butoxyphenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(2-butoxybenzoyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(2-butoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(2-butoxybenzoyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(2-butoxybenzoyl)amino]thiocarbamoyl]-4-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-2-3-12-28-16-7-5-4-6-15(16)18(25)21-22-19(29)20-17(24)13-8-10-14(11-9-13)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,25)(H2,20,22,24,29)