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

Systemtic Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C22H27N5O3S/c1-29-18-6-5-16(19(15-18)30-2)7-10-23-20(28)17-8-13-27(14-9-17)22-25-24-21(31-22)26-11-3-4-12-26/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3,(H,23,28)