diethyl-[3-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propyl]azanium

Systemtic Name: diethyl-[3-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propyl]azanium Openeye Name: diethyl-[3-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]propyl]ammonium CAS Name: diethyl-[3-[[1-oxo-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propyl]azanium Traditional Name: diethyl-[3-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]propyl]ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CCN1C2=CC=CC=C2OC1=S

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CCN1C2=CC=CC=C2OC1=S

InChI

InChI=1S/C17H25N3O2S/c1-3-19(4-2)12-7-11-18-16(21)10-13-20-14-8-5-6-9-15(14)22-17(20)23/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,18,21)/p+1