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

Systemtic Name: N-(2,3-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(2,3-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=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)C

Isomeric SMILES

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

InChI

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