(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H25NO3S/c1-3-25-20-15-17(21(27)23-12-5-4-6-13-23)10-11-19(20)26-22(24)18-9-7-8-16(2)14-18/h7-11,14-15H,3-6,12-13H2,1-2H3