methyl 3-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C26H27N3O4S/c1-33-25(32)20-11-12-21-22(15-20)28-26(34)29(24(21)31)16-18-7-9-19(10-8-18)23(30)27-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,27,30)(H,28,34)