[2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 2,4-bis(chloranyl)benzoate Openeye Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [2-ethoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C22H23Cl2NO3S MolecularWeight: 452.39392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2NO3S/c1-3-27-20-12-15(21(29)25-10-8-14(2)9-11-25)4-7-19(20)28-22(26)17-6-5-16(23)13-18(17)24/h4-7,12-14H,3,8-11H2,1-2H3