3-bromanyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrN3O5S/c1-11(2)10-28-17-7-4-12(8-14(17)20)18(24)22-19(29)21-15-6-5-13(27-3)9-16(15)23(25)26/h4-9,11H,10H2,1-3H3,(H2,21,22,24,29)