3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H26N4OS+2 MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c26-20-18-8-4-5-9-19(18)22-21(27)25(20)15-14-23-10-12-24(13-11-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,27)/p+2