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

Systemtic Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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