3-ethyl-4-oxidanylidene-N-[3-[(1R)-1-phenylethoxy]propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[3-[(1R)-1-phenylethoxy]propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[3-[(1R)-1-phenylethoxy]propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-N-[3-[(1R)-1-phenylethoxy]propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-4-oxo-N-[3-[(1R)-1-phenylethoxy]propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[3-[(1R)-1-phenylethoxy]propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCOC(C)C3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCO[C@H](C)C3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H25N3O3S/c1-3-25-21(27)18-11-10-17(14-19(18)24-22(25)29)20(26)23-12-7-13-28-15(2)16-8-5-4-6-9-16/h4-6,8-11,14-15H,3,7,12-13H2,1-2H3,(H,23,26)(H,24,29)/t15-/m1/s1