1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-ethyl-quinazoline-2,4-dione

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-ethyl-quinazoline-2,4-dione Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-ethyl-quinazoline-2,4-dione CAS Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-3-ethyl-quinazoline-2,4-quinone Formula: C24H26N5O3S+ MolecularWeight: 464.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5O3S/c1-2-28-23(31)17-7-3-5-9-19(17)29(24(28)32)16-22(30)27-13-11-26(12-14-27)15-21-25-18-8-4-6-10-20(18)33-21/h3-10H,2,11-16H2,1H3/p+1