(2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) naphthalene-1-carboxylate

Systemtic Name: (2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) naphthalene-1-carboxylate Openeye Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2,6-dimethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC3=CC=CC=C32)OC)C(=S)N4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC3=CC=CC=C32)OC)C(=S)N4CCCCC4

InChI

InChI=1S/C25H25NO4S/c1-28-21-15-18(24(31)26-13-6-3-7-14-26)16-22(29-2)23(21)30-25(27)20-12-8-10-17-9-4-5-11-19(17)20/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3