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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrN3O4S/c1-12(2)8-9-27-17-7-6-13(10-16(17)20)18(24)22-19(28)21-14-4-3-5-15(11-14)23(25)26/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,24,28)