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

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H21N5OS2/c1-26-16-8-4-7-15(12-16)20-17(25)14-6-5-11-24(13-14)19-22-21-18(27-19)23-9-2-3-10-23/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,20,25)