(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methoxybenzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methoxybenzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25NO4S/c1-3-26-20-15-17(21(28)23-13-5-4-6-14-23)9-12-19(20)27-22(24)16-7-10-18(25-2)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3