1-(4-hexylphenyl)carbonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-hexylphenyl)carbonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-hexylbenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[(4-hexylphenyl)-oxomethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-hexylbenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-hexylbenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-2-3-4-6-10-19-14-16-21(17-15-19)25(32)30-18-9-13-22(30)23(31)27-26-29-28-24(33-26)20-11-7-5-8-12-20/h5,7-8,11-12,14-17,22H,2-4,6,9-10,13,18H2,1H3,(H,27,29,31)