7-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(1R)-2-morpholino-1-(p-tolyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(1R)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(1R)-2-morpholino-1-(p-tolyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C25H27N4O3S- MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CCOCC2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

InChI

InChI=1S/C25H28N4O3S/c1-3-10-29-24(31)20-9-8-19(15-21(20)27-25(29)33)23(30)26-22(16-28-11-13-32-14-12-28)18-6-4-17(2)5-7-18/h3-9,15,22,31H,1,10-14,16H2,2H3,(H,26,30)/p-1/t22-/m0/s1