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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-butylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-butylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[(4-butylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-butylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-butylbenzoyl)pyrrolidine-2-carboxamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O4S/c1-2-3-5-16-7-9-17(10-8-16)24(31)29-13-4-6-19(29)22(30)26-25-28-27-23(34-25)18-11-12-20-21(14-18)33-15-32-20/h7-12,14,19H,2-6,13,15H2,1H3,(H,26,28,30)