1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N4O2S/c1-13(18(24)22-19(25)20-14-8-4-3-5-9-14)23(2)12-17-21-15-10-6-7-11-16(15)26-17/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H2,20,22,24,25)/p+1/t13-/m1/s1