N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C21H20N4O3S2/c1-3-28-13-8-9-16-17(12-13)30-20(22-16)24-18(26)10-11-29-21-23-15-7-5-4-6-14(15)19(27)25(21)2/h4-9,12H,3,10-11H2,1-2H3,(H,22,24,26)