N-(2-ethyl-6-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)C

InChI

InChI=1S/C21H25N5OS/c1-3-16-9-6-8-15(2)18(16)22-19(27)17-10-7-13-26(14-17)21-24-23-20(28-21)25-11-4-5-12-25/h4-6,8-9,11-12,17H,3,7,10,13-14H2,1-2H3,(H,22,27)