N-(2,1,3-benzothiadiazol-4-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]-N-piazthiol-4-yl-acetamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H19N5O3S2/c1-12(10-28-2)25-19(27)13-6-3-4-7-14(13)22-20(25)29-11-17(26)21-15-8-5-9-16-18(15)24-30-23-16/h3-9,12H,10-11H2,1-2H3,(H,21,26)/t12-/m0/s1