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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O5S MolecularWeight: 509.37354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O5S/c1-12(2)8-9-30-17-7-6-14(21)11-16(17)19(27)22-20(31)24-23-18(26)13-4-3-5-15(10-13)25(28)29/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H2,22,24,27,31)