(2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzoate

Systemtic Name: (2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzoate Openeye Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2,6-dimethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C22H25NO4S/c1-15-7-9-16(10-8-15)22(24)27-20-18(25-2)13-17(14-19(20)26-3)21(28)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3