1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl]-methyl-ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC(=O)NCCC3=CCCCC3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H26N4O2S/c1-24(14-19-22-16-9-5-6-10-17(16)27-19)13-18(25)23-20(26)21-12-11-15-7-3-2-4-8-15/h5-7,9-10H,2-4,8,11-14H2,1H3,(H2,21,23,25,26)/p+1