3-bromanyl-4-(3-methylbutoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[(4-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)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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