3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-5,5-dimethyl-imidazolidine-2,4-dione

Systemtic Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-5,5-dimethyl-imidazolidine-2,4-dione Openeye Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]-5,5-dimethyl-imidazolidine-2,4-dione CAS Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione IUPAC Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione Traditional Name: 3-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-keto-butyl]-5,5-dimethyl-hydantoin Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)CCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(C(=O)N(C(=O)N1)CCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H27N5O3S/c1-21(2)19(28)26(20(29)23-21)9-5-8-18(27)25-12-10-24(11-13-25)14-17-22-15-6-3-4-7-16(15)30-17/h3-4,6-7H,5,8-14H2,1-2H3,(H,23,29)/p+1