2-methyl-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]phthalazin-1-one Openeye Name: 2-methyl-4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phthalazin-1-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C20H19N3O2S/c1-13-11-12-23(16-9-5-6-10-17(16)26-13)20(25)18-14-7-3-4-8-15(14)19(24)22(2)21-18/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1