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

Systemtic Name: 1-(4-butylphenyl)carbonyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(4-butylbenzoyl)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(4-butylphenyl)-oxomethyl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-butylbenzoyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(4-butylbenzoyl)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-3-4-8-18-11-13-19(14-12-18)24(31)29-15-6-10-21(29)22(30)26-25-28-27-23(32-25)20-9-5-7-17(2)16-20/h5,7,9,11-14,16,21H,3-4,6,8,10,15H2,1-2H3,(H,26,28,30)