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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-1-(5-pyrrolidino-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4)OC

InChI

InChI=1S/C21H25N5O3S/c1-3-29-17-9-8-15(13-18(17)28-2)14-22-19(27)16-7-6-12-26(16)21-24-23-20(30-21)25-10-4-5-11-25/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,27)