(3-piperidin-1-ylcarbothioylphenyl) 4-methylbenzoate

Systemtic Name: (3-piperidin-1-ylcarbothioylphenyl) 4-methylbenzoate Openeye Name: [3-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2S/c1-15-8-10-16(11-9-15)20(22)23-18-7-5-6-17(14-18)19(24)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3