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

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C21H23NO3S/c1-15-6-8-16(9-7-15)21(23)25-19-14-17(10-11-18(19)24-2)20(26)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3