(2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-chloranylbenzoate

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-chloranylbenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3S/c1-24-17-10-7-15(19(26)22-11-3-2-4-12-22)13-18(17)25-20(23)14-5-8-16(21)9-6-14/h5-10,13H,2-4,11-12H2,1H3