2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H22N2O3S/c28-22(26-15-6-16-31-21-12-2-1-11-20(21)26)13-5-14-27-24(29)18-9-3-7-17-8-4-10-19(23(17)18)25(27)30/h1-4,7-12H,5-6,13-16H2