4-oxidanylidene-3-pentyl-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-pentyl-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-pentyl-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-pentyl-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C26H25N3O3S/c1-2-3-7-16-29-25(31)22-15-10-18(17-23(22)28-26(29)33)24(30)27-19-11-13-21(14-12-19)32-20-8-5-4-6-9-20/h4-6,8-15,17H,2-3,7,16H2,1H3,(H,27,30)(H,28,33)