7-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-3-methyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-3-methyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-3-methyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]-3-methyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-3-methyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-3-methyl-2-thioxo-quinazolin-4-olate Formula: C22H19N4O3S- MolecularWeight: 419.47626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-25-21(28)15-7-6-14(12-17(15)24-22(25)30)20(27)26-10-8-13(9-11-26)19-23-16-4-2-3-5-18(16)29-19/h2-7,12-13,28H,8-11H2,1H3/p-1