(2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-methoxybenzoate

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-methoxybenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCCCC3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C21H23NO4S/c1-24-17-9-6-15(7-10-17)21(23)26-19-14-16(8-11-18(19)25-2)20(27)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3