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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C25H27N3O2S/c29-23(26-15-13-18-7-3-1-4-8-18)20-11-12-21-22(17-20)27-25(31)28(24(21)30)16-14-19-9-5-2-6-10-19/h1,3-4,7-9,11-12,17H,2,5-6,10,13-16H2,(H,26,29)(H,27,31)