3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-2H-phthalazine-1,4-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21N3O3S/c1-14-10-12-23(17-8-4-5-9-18(17)28-14)19(25)11-13-24-21(27)16-7-3-2-6-15(16)20(26)22-24/h2-9,14H,10-13H2,1H3,(H,22,26)