3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(4-keto-8-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=C(C2=O)C=CC=C3C

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=CC=C3C

InChI

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