6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)hexanamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)hexanamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H27N5O2S2/c1-3-14(4-2)18-24-25-20(30-18)23-17(27)12-6-5-9-13-26-19(28)15-10-7-8-11-16(15)22-21(26)29/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,22,29)(H,23,25,27)