3-(3-methylbutoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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