(2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCCCC3)OC

Isomeric SMILES

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

InChI

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