N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide

Systemtic Name: N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide Openeye Name: N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide CAS Name: N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexyl-1-piperazinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide Traditional Name: N-(4-butoxybenzyl)-1-[5-(4-cyclohexylpiperazino)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide Formula: C28H38N6O2S MolecularWeight: 522.70532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C28H38N6O2S/c1-2-3-20-36-24-13-11-22(12-14-24)21-29-26(35)25-10-7-15-34(25)28-31-30-27(37-28)33-18-16-32(17-19-33)23-8-5-4-6-9-23/h7,10-15,23H,2-6,8-9,16-21H2,1H3,(H,29,35)