methyl 2-[5-bromanyl-2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxyphenoxy]acetate Traditional Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxy-phenoxy]acetic acid methyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Br)OCC(=O)OC

InChI

InChI=1S/C22H25BrN2O4S/c1-27-19-12-17(18(23)13-20(19)29-15-21(26)28-2)22(30)25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3