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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4NC3=S

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+1