N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C19H21N5O2S2/c1-3-5-10-16-22-23-18(28-16)21-15(25)12-27-19-20-14-9-7-6-8-13(14)17(26)24(19)11-4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H,21,23,25)