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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C4=NN=C(S4)N5C=CC=C5

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C4=NN=C(S4)N5C=CC=C5

InChI

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