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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N4O2S/c1-3-21-20(26)23-19(25)18(14-9-5-4-6-10-14)24(2)13-17-22-15-11-7-8-12-16(15)27-17/h4-12,18H,3,13H2,1-2H3,(H2,21,23,25,26)/p+1/t18-/m0/s1