3-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H20N4O2S/c1-22-10-12-23(13-11-22)18(25)14-6-8-15(9-7-14)24-19(26)16-4-2-3-5-17(16)21-20(24)27/h2-9H,10-13H2,1H3,(H,21,27)/p+1