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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(2-chlorophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(2-chlorophenyl)methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(2-chlorophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-chlorobenzyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C26H22ClN4O2S- MolecularWeight: 489.99648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H23ClN4O2S/c27-22-9-5-4-6-19(22)17-31-25(33)21-11-10-18(16-23(21)28-26(31)34)24(32)30-14-12-29(13-15-30)20-7-2-1-3-8-20/h1-11,16,33H,12-15,17H2/p-1