3-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(4-benzhydrylpiperazino)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c32-26-23-13-7-8-14-24(23)28-27(33)31(26)20-17-29-15-18-30(19-16-29)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,28,33)