(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN2O4S/c20-14-7-8-17(16(12-14)18(27)21-9-2-1-3-10-21)26-19(23)13-5-4-6-15(11-13)22(24)25/h4-8,11-12H,1-3,9-10H2