(2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) naphthalene-1-carboxylate

Systemtic Name: (2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) naphthalene-1-carboxylate Openeye Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-6-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C24H22BrNO3S MolecularWeight: 484.40538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H22BrNO3S/c1-28-21-15-17(23(30)26-12-5-2-6-13-26)14-20(25)22(21)29-24(27)19-11-7-9-16-8-3-4-10-18(16)19/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3