3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-methyl-quinazolin-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCCSC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCCSC5=CC=CC=C54

InChI

InChI=1S/C25H21N3O2S/c1-17-26-21-8-3-2-7-20(21)25(30)28(17)19-13-11-18(12-14-19)24(29)27-15-6-16-31-23-10-5-4-9-22(23)27/h2-5,7-14H,6,15-16H2,1H3