N-(3,5-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C20H23N5O3S/c1-27-16-10-15(11-17(12-16)28-2)21-18(26)14-6-5-9-25(13-14)20-23-22-19(29-20)24-7-3-4-8-24/h3-4,7-8,10-12,14H,5-6,9,13H2,1-2H3,(H,21,26)