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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1-piperidyl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Traditional Name: N-homoveratryl-1-(5-piperidino-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCC4)OC

InChI

InChI=1S/C22H27N5O3S/c1-29-18-9-8-16(15-19(18)30-2)10-11-23-20(28)17-7-6-14-27(17)22-25-24-21(31-22)26-12-4-3-5-13-26/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,28)