N-(3,4-dipropoxyphenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3,4-dipropoxyphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3,4-dipropoxyphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3,4-dipropoxyphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3,4-dipropoxyphenyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)OCCC

InChI

InChI=1S/C26H33N3O4S/c1-3-16-32-22-14-13-19(18-23(22)33-17-4-2)27-24(30)12-6-5-9-15-29-25(31)20-10-7-8-11-21(20)28-26(29)34/h7-8,10-11,13-14,18H,3-6,9,12,15-17H2,1-2H3,(H,27,30)(H,28,34)