N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H20BrN5OS/c20-16-7-3-5-14(11-16)12-21-17(26)15-6-4-10-25(13-15)19-23-22-18(27-19)24-8-1-2-9-24/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,21,26)