3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-bromobenzyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H23BrN4O2S MolecularWeight: 535.45542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H23BrN4O2S/c27-20-6-4-5-18(15-20)17-31-25(33)22-10-9-19(16-23(22)28-26(31)34)24(32)30-13-11-29(12-14-30)21-7-2-1-3-8-21/h1-10,15-16H,11-14,17H2,(H,28,34)