3-[2-(cyclohexen-1-yl)ethyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C23H30N4O3S/c28-21(24-9-11-26-12-14-30-15-13-26)18-6-7-19-20(16-18)25-23(31)27(22(19)29)10-8-17-4-2-1-3-5-17/h4,6-7,16H,1-3,5,8-15H2,(H,24,28)(H,25,31)/p+1