3-ethyl-7-[3-[(1R)-1-phenylethoxy]propylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[3-[(1R)-1-phenylethoxy]propylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[3-[(1R)-1-phenylethoxy]propylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-[3-[(1R)-1-phenylethoxy]propylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[3-[(1R)-1-phenylethoxy]propylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[3-[(1R)-1-phenylethoxy]propylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H24N3O3S- MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCCOC(C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCCO[C@H](C)C3=CC=CC=C3)[O-]

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/h4-6,8-11,14-15,27H,3,7,12-13H2,1-2H3,(H,23,26)/p-1/t15-/m1/s1