N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OCC

InChI

InChI=1S/C24H31N5O3S/c1-3-31-20-8-7-18(17-21(20)32-4-2)9-12-25-22(30)19-10-15-29(16-11-19)24-27-26-23(33-24)28-13-5-6-14-28/h5-8,13-14,17,19H,3-4,9-12,15-16H2,1-2H3,(H,25,30)