2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]propylthio]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(1,3-benzothiazol-2-yl)piperazino]propylthio]-1H-quinazolin-4-one Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N5OS2/c28-20-16-6-1-2-7-17(16)23-21(25-20)29-15-5-10-26-11-13-27(14-12-26)22-24-18-8-3-4-9-19(18)30-22/h1-4,6-9H,5,10-15H2,(H,23,25,28)