3-[5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1H-quinazolin-4-one dihydrochloride

Systemtic Name: 3-[5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1H-quinazolin-4-one dihydrochloride Openeye Name: 3-[5-(4-phenylpiperazin-1-yl)pentyl]-2-thioxo-1H-quinazolin-4-one dihydrochloride CAS Name: 3-[5-(4-phenyl-1-piperazinyl)pentyl]-2-sulfanylidene-1H-quinazolin-4-one dihydrochloride IUPAC Name: 3-[5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1H-quinazolin-4-one dihydrochloride Traditional Name: 3-[5-(4-phenylpiperazino)pentyl]-2-thioxo-1H-quinazolin-4-one dihydrochloride Formula: C23H30Cl2N4OS MolecularWeight: 481.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H28N4OS.2ClH/c28-22-20-11-5-6-12-21(20)24-23(29)27(22)14-8-2-7-13-25-15-17-26(18-16-25)19-9-3-1-4-10-19;;/h1,3-6,9-12H,2,7-8,13-18H2,(H,24,29);2*1H