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

Systemtic Name: 3-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-(4-benzylpiperazino)-2-keto-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C27H26N4O2S/c32-25(30-16-14-29(15-17-30)19-21-6-2-1-3-7-21)18-20-10-12-22(13-11-20)31-26(33)23-8-4-5-9-24(23)28-27(31)34/h1-13H,14-19H2,(H,28,34)