(4-piperidin-1-ylcarbothioylphenyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (4-piperidin-1-ylcarbothioylphenyl) 3,4,5-trimethoxybenzoate Openeye Name: [4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3

InChI

InChI=1S/C22H25NO5S/c1-25-18-13-16(14-19(26-2)20(18)27-3)22(24)28-17-9-7-15(8-10-17)21(29)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3