N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[4-[(4-ethylpiperazino)methyl]phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C25H33N7OS MolecularWeight: 479.64082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NN=C(S4)N5C=CC=C5

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NN=C(S4)N5C=CC=C5

InChI

InChI=1S/C25H33N7OS/c1-2-29-15-17-30(18-16-29)19-20-5-7-22(8-6-20)26-23(33)21-9-13-32(14-10-21)25-28-27-24(34-25)31-11-3-4-12-31/h3-8,11-12,21H,2,9-10,13-19H2,1H3,(H,26,33)