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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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