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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)Cl)OC

InChI

InChI=1S/C20H22ClN5O3S/c1-28-16-11-17(29-2)15(10-14(16)21)22-18(27)13-6-5-9-26(12-13)20-24-23-19(30-20)25-7-3-4-8-25/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,27)