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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-veratryl-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)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4)OC

InChI

InChI=1S/C22H27N5O3S/c1-29-18-10-9-16(14-19(18)30-2)15-23-20(28)17-8-7-13-27(17)22-25-24-21(31-22)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,28)