7-[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate

Systemtic Name: 7-[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate Openeye Name: 7-[methyl-[(2-morpholinophenyl)methyl]carbamoyl]-2-thioxo-1H-quinazolin-4-olate CAS Name: 7-[[methyl-[[2-(4-morpholinyl)phenyl]methyl]amino]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-olate IUPAC Name: 7-[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate Traditional Name: 7-[methyl-(2-morpholinobenzyl)carbamoyl]-2-thioxo-1H-quinazolin-4-olate Formula: C21H21N4O3S- MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=NC(=S)N4)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=NC(=S)N4)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-24(13-15-4-2-3-5-18(15)25-8-10-28-11-9-25)20(27)14-6-7-16-17(12-14)22-21(29)23-19(16)26/h2-7,12H,8-11,13H2,1H3,(H2,22,23,26,29)/p-1