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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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