3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(2-methyl-4-oxo-3-quinazolinyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(4-keto-2-methyl-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H29N5O2S/c1-3-4-5-6-7-8-13-20-25-26-22(30-20)24-19(28)14-15-27-16(2)23-18-12-10-9-11-17(18)21(27)29/h9-12H,3-8,13-15H2,1-2H3,(H,24,26,28)