N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C22H22N4O4S2/c1-29-11-5-10-26-20(28)15-6-3-4-7-16(15)24-22(26)31-13-19(27)25-21-23-17-9-8-14(30-2)12-18(17)32-21/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,25,27)