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

Systemtic Name: N-[[(4-butoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(4-butoxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(4-butoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(4-butoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(4-butoxybenzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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