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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C22H27N5O3S MolecularWeight: 441.54648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C22H27N5O3S/c1-3-30-18-7-6-16(14-19(18)29-2)15-23-20(28)17-8-12-27(13-9-17)22-25-24-21(31-22)26-10-4-5-11-26/h4-7,10-11,14,17H,3,8-9,12-13,15H2,1-2H3,(H,23,28)