3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-21-19-9-4-5-10-20(19)23-22(28)26(21)12-6-11-24-13-15-25(16-14-24)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,28)/p+1