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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H22BrN5O2S/c1-28-17-5-4-16(21)12-15(17)13-22-18(27)14-6-10-26(11-7-14)20-24-23-19(29-20)25-8-2-3-9-25/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,22,27)