4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N-phenyl-piperazine-1-carbothioamide Formula: C28H28N6O2S MolecularWeight: 512.62592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28N6O2S/c1-35-23-12-8-20(9-13-23)25-26(21-10-14-24(36-2)15-11-21)31-32-27(30-25)33-16-18-34(19-17-33)28(37)29-22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3,(H,29,37)