3-[(2-chlorophenyl)methyl]-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(2-chlorophenyl)methyl]-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(2-chlorophenyl)methyl]-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(2-chlorophenyl)methyl]-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(2-chlorophenyl)methyl]-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-chlorobenzyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-24-8-10-25(11-9-24)19(27)14-6-7-16-18(12-14)23-21(29)26(20(16)28)13-15-4-2-3-5-17(15)22/h2-7,12,28H,8-11,13H2,1H3