N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazino)acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N5O3S/c1-29-18-9-8-16(14-19(18)30-2)21-24-25-22(31-21)23-20(28)15-26-10-12-27(13-11-26)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25,28)