N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-prop-2-enamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(2-thienyl)prop-2-enamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-2-propenamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-ylprop-2-enamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(2-thienyl)acrylamide Formula: C20H14IN3OS MolecularWeight: 471.31413

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C=CC3=CC=CS3)N=C4N1C=C(C=C4)I

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C=CC3=CC=CS3)N=C4N1C=C(C=C4)I

InChI

InChI=1S/C20H14IN3OS/c21-15-7-9-18-22-20(23-19(25)10-8-16-5-3-11-26-16)17-6-2-1-4-14(17)12-24(18)13-15/h1-11,13H,12H2