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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

InChI

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