1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone

Systemtic Name: 1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone Openeye Name: 1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone CAS Name: 1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone IUPAC Name: 1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl(5,10-dihydropyrrolo[1,2-b][2,4]benzodiazepin-4-yl)methanone Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN(C3=CC=CN31)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1C2=CC=CC=C2CN(C3=CC=CN31)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C20H15N3OS/c24-20(14-7-8-17-18(10-14)25-13-21-17)23-12-16-5-2-1-4-15(16)11-22-9-3-6-19(22)23/h1-10,13H,11-12H2