(3E)-3-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-(cyclohexylmethylamino)-1,8-naphthyridine-2,4-dione

Systemtic Name: (3E)-3-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-(cyclohexylmethylamino)-1,8-naphthyridine-2,4-dione Openeye Name: (3E)-1-(cyclohexylmethylamino)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1,8-naphthyridine-2,4-dione CAS Name: (3E)-1-(cyclohexylmethylamino)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1,8-naphthyridine-2,4-dione IUPAC Name: (3E)-1-(cyclohexylmethylamino)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1,8-naphthyridine-2,4-dione Traditional Name: (3E)-1-(cyclohexylmethylamino)-3-(1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1,8-naphthyridine-2,4-quinone Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNN2C3=C(C=CC=N3)C(=O)C(=C4NC5=CC=CC=C5S(=O)(=O)N4)C2=O

Isomeric SMILES

C1CCC(CC1)CNN2C3=C(C=CC=N3)C(=O)/C(=C\4/NC5=CC=CC=C5S(=O)(=O)N4)/C2=O

InChI

InChI=1S/C22H23N5O4S/c28-19-15-9-6-12-23-21(15)27(24-13-14-7-2-1-3-8-14)22(29)18(19)20-25-16-10-4-5-11-17(16)32(30,31)26-20/h4-6,9-12,14,24-26H,1-3,7-8,13H2/b20-18+