3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)propyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)O)NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)O)NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c33-23-12-13-25-24(20-23)27(34)32(28(35)29-25)15-7-14-30-16-18-31(19-17-30)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26,33H,7,14-19H2,(H,29,35)