2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-3-(4-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C26H24N4O2S2 MolecularWeight: 488.62436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=CC(=C5)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=CC(=C5)C

InChI

InChI=1S/C26H24N4O2S2/c1-17-11-13-27-23(15-17)30-25(32)19-7-3-4-8-20(19)28-26(30)33-16-24(31)29-14-12-18(2)34-22-10-6-5-9-21(22)29/h3-11,13,15,18H,12,14,16H2,1-2H3