3-[3-oxidanylidene-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H26N5O2S2+ MolecularWeight: 492.63624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C25H25N5O2S2/c31-22(10-11-30-24(32)20-8-4-5-9-21(20)27-25(30)33)29-14-12-28(13-15-29)16-19-17-34-23(26-19)18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,27,33)/p+1