2-(1H-imidazol-5-ylmethyl)-1,1-bis(oxidanylidene)-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-1,1-bis(oxidanylidene)-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one Openeye Name: 2-(1H-imidazol-5-ylmethyl)-1,1-dioxo-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one CAS Name: 2-(1H-imidazol-5-ylmethyl)-1,1-dioxo-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one IUPAC Name: 2-(1H-imidazol-5-ylmethyl)-1,1-dioxo-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one Traditional Name: 2-(1H-imidazol-5-ylmethyl)-1,1-diketo-5-phenethyl-3H-1$l^{6},2,5-benzothiadiazepin-4-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S(=O)(=O)N1CC3=CN=CN3)CCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S(=O)(=O)N1CC3=CN=CN3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S/c25-20-14-23(13-17-12-21-15-22-17)28(26,27)19-9-5-4-8-18(19)24(20)11-10-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H,21,22)