N-(4-bromanyl-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5OS/c1-13-11-15(6-7-16(13)20)21-17(26)14-5-4-10-25(12-14)19-23-22-18(27-19)24-8-2-3-9-24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,26)