3-[2-(cyclohexen-1-yl)ethyl]-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(2-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[oxo-(2-pyridinylmethylamino)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(2-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C23H23N4O2S- MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=CC=N4)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=CC=N4)[O-]

InChI

InChI=1S/C23H24N4O2S/c28-21(25-15-18-8-4-5-12-24-18)17-9-10-19-20(14-17)26-23(30)27(22(19)29)13-11-16-6-2-1-3-7-16/h4-6,8-10,12,14,29H,1-3,7,11,13,15H2,(H,25,28)/p-1