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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O4S2/c1-29-13-7-8-16-17(11-13)31-20(22-16)24-18(27)12-30-21-23-15-6-3-2-5-14(15)19(28)25(21)9-4-10-26/h2-3,5-8,11,26H,4,9-10,12H2,1H3,(H,22,24,27)