1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone

Systemtic Name: 1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone Openeye Name: 1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone CAS Name: 1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone IUPAC Name: 1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl(6,11-dihydropyrido[2,3-b][1,4]benzodiazepin-5-yl)methanone Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC3=C(N1C(=O)C4=CC5=C(C=C4)N=CS5)C=CC=N3

Isomeric SMILES

C1C2=CC=CC=C2NC3=C(N1C(=O)C4=CC5=C(C=C4)N=CS5)C=CC=N3

InChI

InChI=1S/C20H14N4OS/c25-20(13-7-8-16-18(10-13)26-12-22-16)24-11-14-4-1-2-5-15(14)23-19-17(24)6-3-9-21-19/h1-10,12H,11H2,(H,21,23)