3-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-oxo-butyl]-8-methyl-quinazolin-4-one CAS Name: 3-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-oxobutyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutyl]-8-methylquinazolin-4-one Traditional Name: 3-[4-[4-(1,3-benzothiazol-2-yl)piperidino]-4-keto-butyl]-8-methyl-quinazolin-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-17-6-4-7-19-23(17)26-16-29(25(19)31)13-5-10-22(30)28-14-11-18(12-15-28)24-27-20-8-2-3-9-21(20)32-24/h2-4,6-9,16,18H,5,10-15H2,1H3