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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C26H22N4O3S2 MolecularWeight: 502.60788

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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)N3C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S2/c1-2-33-18-12-13-21-22(16-18)35-25(27-21)29-23(31)14-15-34-26-28-20-11-7-6-10-19(20)24(32)30(26)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,27,29,31)