3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-19(26)18-13-6-1-2-7-14(13)20(27)24(22-18)12-17(25)23-10-5-11-28-16-9-4-3-8-15(16)23/h1-4,6-9H,5,10-12H2,(H2,21,26)