1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide Openeye Name: 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide CAS Name: 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-2-(4-methoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)NC2=NN=C(S2)CCC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(C(CC1=O)C(=O)NC2=NN=C(S2)CCC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O3S/c1-4-6-12-25-18(26)13-16(19(25)14-8-10-15(28-3)11-9-14)20(27)22-21-24-23-17(29-21)7-5-2/h8-11,16,19H,4-7,12-13H2,1-3H3,(H,22,24,27)