3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylsulfonyl)phenyl]-1H-quinazoline-2,4-quinone Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CSCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H19N3O4S2/c27-22-19-9-2-3-10-20(19)24-23(28)26(22)17-7-5-8-18(14-17)32(29,30)25-12-13-31-15-16-6-1-4-11-21(16)25/h1-11,14H,12-13,15H2,(H,24,28)