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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)C

InChI

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