[2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 4-nitrobenzoate Openeye Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,6-dibromo-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H16Br2N2O4S MolecularWeight: 528.21434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O4S/c20-15-10-13(18(28)22-8-2-1-3-9-22)11-16(21)17(15)27-19(24)12-4-6-14(7-5-12)23(25)26/h4-7,10-11H,1-3,8-9H2