N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-pentylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-pentylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-pentylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[oxo-(4-pentylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-pentylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-amylbenzoyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4S/c1-2-3-4-6-17-8-10-18(11-9-17)25(32)30-14-5-7-20(30)23(31)27-26-29-28-24(35-26)19-12-13-21-22(15-19)34-16-33-21/h8-13,15,20H,2-7,14,16H2,1H3,(H,27,29,31)