3-[2-(cyclohexen-1-yl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CN=CN4)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CN=CN4)NC2=S

InChI

InChI=1S/C22H25N5O2S/c28-20(24-10-8-17-13-23-14-25-17)16-6-7-18-19(12-16)26-22(30)27(21(18)29)11-9-15-4-2-1-3-5-15/h4,6-7,12-14H,1-3,5,8-11H2,(H,23,25)(H,24,28)(H,26,30)