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

Systemtic Name: 2-[[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-butyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-butyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-butylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-butylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-butyl-amino]methyl]-1H-quinazolin-4-one Formula: C27H31N5O2S MolecularWeight: 489.63234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H31N5O2S/c1-2-3-14-31(17-24-28-21-9-5-4-8-20(21)26(34)30-24)18-25(33)32-15-12-19(13-16-32)27-29-22-10-6-7-11-23(22)35-27/h4-11,19H,2-3,12-18H2,1H3,(H,28,30,34)