7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione

Systemtic Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione Openeye Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione CAS Name: 7-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]-4-ethyl-1H-quinoxaline-2,3-dione IUPAC Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione Traditional Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-quinone Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)NC(=O)C1=O

InChI

InChI=1S/C23H23N5O3S/c1-2-28-18-8-7-15(13-17(18)25-21(29)23(28)31)22(30)27-11-9-26(10-12-27)14-20-24-16-5-3-4-6-19(16)32-20/h3-8,13H,2,9-12,14H2,1H3,(H,25,29)