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

Systemtic Name: N-(3,5-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)C

InChI

InChI=1S/C20H23N5OS/c1-14-10-15(2)12-17(11-14)21-18(26)16-6-5-9-25(13-16)20-23-22-19(27-20)24-7-3-4-8-24/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3,(H,21,26)