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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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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)Br

Isomeric SMILES

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

InChI

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