N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-3-17-8-11-19(12-9-17)29-25(31)20-6-4-5-7-21(20)28-26(29)34-16(2)24(30)27-18-10-13-22-23(14-18)33-15-32-22/h4-14,16H,3,15H2,1-2H3,(H,27,30)