2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]quinazolin-4-olate Formula: C20H16N5O2S- MolecularWeight: 390.43834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C20H17N5O2S/c26-18-13-5-1-2-6-14(13)21-17(23-18)19(27)24-9-11-25(12-10-24)20-22-15-7-3-4-8-16(15)28-20/h1-8H,9-12H2,(H,21,23,26)/p-1