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

Systemtic Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-N-[(3,4,5-triethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(3,4,5-triethoxybenzyl)isonipecotamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C25H33N5O4S/c1-4-32-20-15-18(16-21(33-5-2)22(20)34-6-3)17-26-23(31)19-9-13-30(14-10-19)25-28-27-24(35-25)29-11-7-8-12-29/h7-8,11-12,15-16,19H,4-6,9-10,13-14,17H2,1-3H3,(H,26,31)