3-(4-oxidanylidenequinazolin-3-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(4-oxoquinazolin-3-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(4-oxo-3-quinazolinyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(4-oxoquinazolin-3-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N5O3S2/c27-17(14-6-2-1-3-7-14)12-30-21-25-24-20(31-21)23-18(28)10-11-26-13-22-16-9-5-4-8-15(16)19(26)29/h1-9,13H,10-12H2,(H,23,24,28)