3-bromanyl-4-(3-methylbutoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5S/c1-11(2)7-8-28-17-6-3-12(9-14(17)20)18(25)22-19(29)21-15-10-13(23(26)27)4-5-16(15)24/h3-6,9-11,24H,7-8H2,1-2H3,(H2,21,22,25,29)