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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-m-anisyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-27-17-6-4-5-15(13-17)14-21-18(26)16-7-11-25(12-8-16)20-23-22-19(28-20)24-9-2-3-10-24/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3,(H,21,26)