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

Systemtic Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Openeye Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide CAS Name: 1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-N-(2,4,6-trimethylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Traditional Name: N-mesityl-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:

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

Isomeric SMILES

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

InChI

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