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

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28/h1-3,5-8,15H,4,9-14H2,(H,23,28)/p+1