3-[4-oxidanylidene-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one

Systemtic Name: 3-[4-oxidanylidene-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-yl]butyl]quinazolin-4-one CAS Name: 3-[4-oxo-4-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]butyl]-4-quinazolinone IUPAC Name: 3-[4-oxo-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-[(5-phenyl-2-thienyl)methyl]piperazino]butyl]quinazolin-4-one Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H28N4O2S/c32-26(11-6-14-31-20-28-24-10-5-4-9-23(24)27(31)33)30-17-15-29(16-18-30)19-22-12-13-25(34-22)21-7-2-1-3-8-21/h1-5,7-10,12-13,20H,6,11,14-19H2