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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OCC

InChI

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