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

Systemtic Name: 7-chloranyl-3-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-chloro-3-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-chloro-3-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-chloro-3-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C20H19ClN4O2S/c1-23-7-9-24(10-8-23)18(26)13-3-2-4-15(11-13)25-19(27)16-6-5-14(21)12-17(16)22-20(25)28/h2-6,11-12H,7-10H2,1H3,(H,22,28)/p+1